A0A096MEG9_POEFO Loading...

ER lumen protein-retaining receptor

AlphaFold DB (A0A3B3UT62), UniProt , Accession A0A096MEG9, Species POEFO (Poecilia formosa, Amazon molly), Gene KDELR2, Length 212 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M75.6Confident90.5Very high144 Ų14457.5 Ų57.571%0.70929%0.288SS*.  0126.20-170.668.581.900106.8R5 Y59M1-R5 HydrophobicContact SD-CB 4.28Å; M1-R5 HydrophobicContact SD-CG 3.96Å; M1-Y59 HydrophobicContact CE-CE1 4.41Å
2N89.8Confident90.8Very high19 Ų1953.5 Ų53.510%0.10227%0.267CS..  trans-121.8170.3177.263.646.7000110.4F4 R5 L6 N165N2-F4 VanDerWaalsContact C-N 3.28Å; N2-F4 PolarHBondContact O-N 3.16Å; N2-F4 PolarHBondContact OD1-N 3.44Å; N2-R5 PolarHBondContact O-N 3.05Å; N2-R5 PolarHBondContact OD1-N 2.84Å; N2-L6 PolarHBondContact O-N 3.44Å; N2-N165 PolarHBondContact ND2-OD1 3.08Å; N2-N165 PolarHBondContact OD1-OD1 3.49Å
3I91.8Very high91Very high106 Ų10651.5 Ų51.554%0.54426%0.257SS..Hα-helixtrans-61.4-35.2-175.3-169.363.8000112.7L6 T7I3-L6 PolarHBondContact O-N 2.93Å; I3-T7 HydrophobicContact CD1-CG2 4.12Å; I3-T7 HydrophobicContact CG1-CG2 4.23Å; I3-T7 WeakPolarHBondContact O-CB 3.36Å; I3-T7 WeakPolarHBondContact O-CG2 3.48Å; I3-T7 PolarHBondContact O-N 3.45Å; I3-T7 PolarHBondContact O-OG1 2.83Å
4F92.1Very high91.3Very high51 Ų5150.2 Ų50.222%0.22426%0.259CS..Hα-helixtrans-68.4-42.9-179.3-56.8-67.2000111.6N2 T7 G8 I164 N165 W168N2-F4 VanDerWaalsContact C-N 3.28Å; N2-F4 PolarHBondContact O-N 3.16Å; N2-F4 PolarHBondContact OD1-N 3.44Å; F4-T7 PolarHBondContact O-OG1 3.01Å; F4-G8 PolarHBondContact O-N 2.65Å; F4-I164 HydrophobicContact CD1-CB 4.24Å; F4-I164 HydrophobicContact CD1-CG2 3.59Å; F4-I164 HydrophobicContact CD2-CG2 4.02Å; F4-I164 HydrophobicContact CE1-CG2 3.63Å; F4-I164 HydrophobicContact CE2-CG2 4.07Å; F4-I164 HydrophobicContact CG-CB 4.37Å; F4-I164 HydrophobicContact CG-CG2 3.79Å; F4-I164 HydrophobicContact CZ-CG2 3.87Å; F4-N165 HydrophobicContact CB-CB 3.84Å; F4-W168 HydrophobicContact CD2-CB 4.32Å; F4-W168 HydrophobicContact CD2-CD2 4.46Å; F4-W168 HydrophobicContact CD2-CE3 4.4Å; F4-W168 HydrophobicContact CD2-CG 4.45Å; F4-W168 HydrophobicContact CE2-CB 4.47Å; F4-W168 HydrophobicContact CE2-CD2 4.06Å; F4-W168 AromaticContact CE2-CE3 3.58Å; F4-W168 HydrophobicContact CE2-CE3 3.58Å; F4-W168 HydrophobicContact CE2-CG 4.46Å; F4-W168 HydrophobicContact CE2-CZ3 4.15Å; F4-W168 HydrophobicContact CZ-CE3 4.48Å
5R89.8Confident91.5Very high82 Ų8246.9 Ų46.931%0.30924%0.242SC..Hα-helixtrans-64-46174.1-173.7172.1177.3177.20.9111.7M1 N2 G8 D9 N165M1-R5 HydrophobicContact SD-CB 4.28Å; M1-R5 HydrophobicContact SD-CG 3.96Å; N2-R5 PolarHBondContact O-N 3.05Å; N2-R5 PolarHBondContact OD1-N 2.84Å; R5-G8 PolarHBondContact O-N 3.25Å; R5-D9 VanDerWaalsContact O-CG 3.25Å; R5-D9 PolarHBondContact O-N 2.87Å; R5-N165 HydrophobicContact CB-CB 4.48Å
6L90.6Very high91.7Very high61 Ų6145 Ų4532%0.31923%0.232SC..Hα-helixtrans-62.2-48.2-179.7179.263.7000111.8N2 I3 G8 D9 L10N2-L6 PolarHBondContact O-N 3.44Å; I3-L6 PolarHBondContact O-N 2.93Å; L6-G8 VanDerWaalsContact C-N 3.32Å; L6-G8 PolarHBondContact O-N 3.13Å; L6-D9 PolarHBondContact O-N 3.3Å; L6-L10 HydrophobicContact CD1-CD1 4.49Å; L6-L10 HydrophobicContact CG-CD1 4.34Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.33Å
7T93Very high91.9Very high51 Ų5146.5 Ų46.531%0.31324%0.24SC..Hα-helixtrans-66.6-34.7177.650.90000112.1I3 F4 S11I3-T7 HydrophobicContact CD1-CG2 4.12Å; I3-T7 HydrophobicContact CG1-CG2 4.23Å; I3-T7 WeakPolarHBondContact O-CB 3.36Å; I3-T7 WeakPolarHBondContact O-CG2 3.48Å; I3-T7 PolarHBondContact O-N 3.45Å; I3-T7 PolarHBondContact O-OG1 2.83Å; F4-T7 PolarHBondContact O-OG1 3.01Å; T7-S11 WeakPolarHBondContact O-CB 3.38Å; T7-S11 PolarHBondContact O-N 3.49Å
8G93.5Very high92Very high0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-58.9-54169.900000111.6F4 R5 L6 L10 S11 H12 Y158F4-G8 PolarHBondContact O-N 2.65Å; R5-G8 PolarHBondContact O-N 3.25Å; L6-G8 VanDerWaalsContact C-N 3.32Å; L6-G8 PolarHBondContact O-N 3.13Å; G8-L10 VanDerWaalsContact C-N 3.3Å; G8-L10 PolarHBondContact O-N 3.13Å; G8-S11 WeakPolarHBondContact O-CB 3.07Å; G8-S11 PolarHBondContact O-N 3.35Å; G8-S11 VanDerWaalsContact O-N 3.08Å; G8-H12 PolarHBondContact O-N 3.42Å; G8-Y158 WeakPolarHBondContact O-CB 3.4Å
9D91.3Very high92.2Very high20 Ų2044.1 Ų44.111%0.10723%0.227CC..Hα-helixtrans-58.7-41.3179.6-68.7-21.9000111.8R5 L6 H12 L13 Y67 Y162R5-D9 VanDerWaalsContact O-CG 3.25Å; R5-D9 PolarHBondContact O-N 2.87Å; L6-D9 PolarHBondContact O-N 3.3Å; D9-H12 PolarHBondContact O-N 3.13Å; D9-L13 WeakPolarHBondContact O-CB 3.39Å; D9-L13 PolarHBondContact O-N 3.37Å; D9-Y67 PolarHBondContact O-OH 3.42Å; D9-Y162 WeakPolarHBondContact OD1-CE2 3.48Å; D9-Y162 PolarHBondContact OD1-OH 2.94Å
10L92.8Very high92.3Very high89 Ų8943.8 Ų43.847%0.46623%0.226SC..Hα-helixtrans-66.2-39175.1-67.8174.7000112.9L6 G8 H12 L13 A14L6-L10 HydrophobicContact CD1-CD1 4.49Å; L6-L10 HydrophobicContact CG-CD1 4.34Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 3.33Å; G8-L10 VanDerWaalsContact C-N 3.3Å; G8-L10 PolarHBondContact O-N 3.13Å; L10-H12 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 3.17Å; L10-A14 WeakPolarHBondContact O-CB 3.27Å; L10-A14 PolarHBondContact O-N 2.97Å
11S95.1Very high92.4Very high10 Ų1045.5 Ų45.57%0.0724%0.235CC..Hα-helixtrans-63.7-40.9174.4-175.40000111.4T7 G8 A14 A15 F154T7-S11 WeakPolarHBondContact O-CB 3.38Å; T7-S11 PolarHBondContact O-N 3.49Å; G8-S11 WeakPolarHBondContact O-CB 3.07Å; G8-S11 PolarHBondContact O-N 3.35Å; G8-S11 VanDerWaalsContact O-N 3.08Å; S11-A14 PolarHBondContact O-N 2.98Å; S11-A15 PolarHBondContact O-N 3.44Å; S11-F154 PolarHBondContact OG-O 3.43Å
12H94.7Very high93.3Very high9 Ų939.4 Ų39.44%0.04220%0.204CC..Hα-helixtrans-64.7-46.6177.6-169.9-177.1000110.8G8 D9 L10 A14 A15 I16 F44 Y67 E127 Y158G8-H12 PolarHBondContact O-N 3.42Å; D9-H12 PolarHBondContact O-N 3.13Å; L10-H12 VanDerWaalsContact C-N 3.34Å; H12-A14 VanDerWaalsContact C-N 3.31Å; H12-A14 PolarHBondContact O-N 2.93Å; H12-A15 WeakPolarHBondContact O-CB 3.39Å; H12-A15 PolarHBondContact O-N 3.1Å; H12-I16 PolarHBondContact O-N 3.06Å; H12-I16 VanDerWaalsContact O-N 3.14Å; H12-F44 AromaticContact CE1-CE1 3.8Å; H12-F44 AromaticContact CE1-CZ 3.53Å; H12-F44 AromaticContact NE2-CZ 3.72Å; H12-Y67 HydrophobicContact CB-CE1 4.41Å; H12-Y67 AromaticContact CG-CE1 3.98Å; H12-Y67 AromaticContact ND1-CE1 3.93Å; H12-E127 IonicContact CE1-OE1 3.84Å; H12-Y158 HydrophobicContact CB-CD1 3.92Å; H12-Y158 HydrophobicContact CB-CD2 4.23Å; H12-Y158 HydrophobicContact CB-CG 3.75Å; H12-Y158 AromaticContact CG-CD1 3.91Å
13L93.8Very high93.6Very high27 Ų2738.5 Ų38.514%0.14120%0.2CC..Hα-helixtrans-59.5-42.8175-178.961.5000111.7D9 L10 A15 I16 I17 M63 I66 Y67D9-L13 WeakPolarHBondContact O-CB 3.39Å; D9-L13 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 3.17Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-A15 PolarHBondContact O-N 2.7Å; L13-I16 PolarHBondContact O-N 3.35Å; L13-I17 HydrophobicContact CD1-CD1 3.87Å; L13-I17 HydrophobicContact CD1-CG1 4.15Å; L13-I17 HydrophobicContact CD2-CD1 4.38Å; L13-I17 HydrophobicContact CG-CD1 3.79Å; L13-I17 HydrophobicContact CG-CG1 4.41Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 3.16Å; L13-M63 HydrophobicContact CB-CE 4.32Å; L13-M63 HydrophobicContact CD2-CE 4.04Å; L13-M63 HydrophobicContact CD2-SD 4.24Å; L13-I66 HydrophobicContact CD1-CG2 3.6Å; L13-Y67 HydrophobicContact CB-CE1 4.46Å
14A94.8Very high93.8Very high34 Ų3438.8 Ų38.828%0.28119%0.194SC..Hα-helixtrans-58.9-44.7175.800000111.7L10 S11 H12 I16 I17 I18L10-A14 WeakPolarHBondContact O-CB 3.27Å; L10-A14 PolarHBondContact O-N 2.97Å; S11-A14 PolarHBondContact O-N 2.98Å; H12-A14 VanDerWaalsContact C-N 3.31Å; H12-A14 PolarHBondContact O-N 2.93Å; A14-I16 VanDerWaalsContact C-N 3.35Å; A14-I16 PolarHBondContact O-N 3.48Å; A14-I17 PolarHBondContact O-N 3.21Å; A14-I18 WeakPolarHBondContact O-CB 3.4Å; A14-I18 WeakPolarHBondContact O-CD1 3.39Å; A14-I18 WeakPolarHBondContact O-CG1 3.3Å; A14-I18 PolarHBondContact O-N 3.45Å
15A94.4Very high93.9Very high0 Ų044.1 Ų44.10%022%0.217CC..Hα-helixtrans-57-47.817700000111.8S11 H12 L13 I18 L19 Y151 F154 L155S11-A15 PolarHBondContact O-N 3.44Å; H12-A15 WeakPolarHBondContact O-CB 3.39Å; H12-A15 PolarHBondContact O-N 3.1Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-A15 PolarHBondContact O-N 2.7Å; A15-I18 PolarHBondContact O-N 3.31Å; A15-L19 PolarHBondContact O-N 3.42Å; A15-L19 VanDerWaalsContact O-N 3.07Å; A15-Y151 HydrophobicContact CB-CD2 4.04Å; A15-Y151 HydrophobicContact CB-CE2 4.49Å; A15-Y151 WeakPolarHBondContact O-CD2 3.28Å; A15-F154 HydrophobicContact CB-CB 3.76Å; A15-L155 HydrophobicContact CB-CB 4.09Å; A15-L155 HydrophobicContact CB-CD1 4.21Å
16I94.6Very high94.1Very high17 Ų1743.1 Ų43.19%0.08722%0.223CC..Hα-helixtrans-64.4-45.3-179.2-68.1172000111.2H12 L13 A14 L19 L20 F44 Y67 C70H12-I16 PolarHBondContact O-N 3.06Å; H12-I16 VanDerWaalsContact O-N 3.14Å; L13-I16 PolarHBondContact O-N 3.35Å; A14-I16 VanDerWaalsContact C-N 3.35Å; A14-I16 PolarHBondContact O-N 3.48Å; I16-L19 PolarHBondContact O-N 3.26Å; I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 PolarHBondContact O-N 3.49Å; I16-F44 HydrophobicContact CD1-CE2 4.06Å; I16-F44 HydrophobicContact CD1-CZ 4.01Å; I16-Y67 HydrophobicContact CD1-CD1 3.39Å; I16-Y67 HydrophobicContact CD1-CE1 3.62Å; I16-C70 HydrophobicContact CG2-CB 3.36Å
17I94.4Very high94.4Very high70 Ų7046.3 Ų46.336%0.35923%0.231SC..Hα-helixtrans-65.1-42.2178.6-68.2174.3000110.8L13 A14 L19 L20 L21L13-I17 HydrophobicContact CD1-CD1 3.87Å; L13-I17 HydrophobicContact CD1-CG1 4.15Å; L13-I17 HydrophobicContact CD2-CD1 4.38Å; L13-I17 HydrophobicContact CG-CD1 3.79Å; L13-I17 HydrophobicContact CG-CG1 4.41Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 3.16Å; A14-I17 PolarHBondContact O-N 3.21Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.99Å; I17-L20 PolarHBondContact O-N 3.05Å; I17-L21 HydrophobicContact CG2-CD1 3.63Å; I17-L21 HydrophobicContact CG2-CG 4.04Å; I17-L21 VanDerWaalsContact O-CB 3.3Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.48Å; I17-L21 PolarHBondContact O-N 3.34Å
18I94.3Very high94.4Very high45 Ų4545.2 Ų45.223%0.23123%0.225CC..Hα-helixtrans-57.8-48.3177.2-73.9164.4000110.3A14 A15 K22 I147 F154A14-I18 WeakPolarHBondContact O-CB 3.4Å; A14-I18 WeakPolarHBondContact O-CD1 3.39Å; A14-I18 WeakPolarHBondContact O-CG1 3.3Å; A14-I18 PolarHBondContact O-N 3.45Å; A15-I18 PolarHBondContact O-N 3.31Å; I18-K22 VanDerWaalsContact O-CB 3.24Å; I18-K22 WeakPolarHBondContact O-CB 3.46Å; I18-K22 PolarHBondContact O-N 3.28Å; I18-I147 HydrophobicContact CG2-CG2 4.03Å; I18-F154 HydrophobicContact CD1-CD2 3.39Å; I18-F154 HydrophobicContact CD1-CE2 3.51Å; I18-F154 HydrophobicContact CD1-CG 4.43Å
19L94.9Very high94.4Very high3 Ų345.2 Ų45.22%0.01623%0.225CC..Hα-helixtrans-63.2-47.7179.4179.761.1000111.7A15 I16 I17 L21 K22 I23 I32 Q37 T74 Y151A15-L19 PolarHBondContact O-N 3.42Å; A15-L19 VanDerWaalsContact O-N 3.07Å; I16-L19 PolarHBondContact O-N 3.26Å; I17-L19 VanDerWaalsContact C-N 3.34Å; I17-L19 PolarHBondContact O-N 2.99Å; L19-L21 PolarHBondContact O-N 3.46Å; L19-K22 WeakPolarHBondContact O-CB 3.32Å; L19-K22 PolarHBondContact O-N 3.49Å; L19-I23 HydrophobicContact CD1-CD1 4Å; L19-I23 HydrophobicContact CD1-CG1 4.36Å; L19-I23 HydrophobicContact CG-CD1 4.1Å; L19-I23 WeakPolarHBondContact O-CG1 3.33Å; L19-I23 PolarHBondContact O-N 3.24Å; L19-I32 HydrophobicContact CD1-CD1 3.64Å; L19-I32 HydrophobicContact CD1-CG1 3.98Å; L19-I32 HydrophobicContact CD1-CG2 4.18Å; L19-Q37 VanDerWaalsContact CD2-CD 3.49Å; L19-Q37 HydrophobicContact CD2-CG 4.41Å; L19-T74 HydrophobicContact CD2-CG2 4.03Å; L19-T74 HydrophobicContact CG-CG2 4.33Å; L19-Y151 HydrophobicContact CB-CD2 3.94Å; L19-Y151 HydrophobicContact CB-CE2 4.36Å; L19-Y151 HydrophobicContact CB-CG 4.21Å; L19-Y151 HydrophobicContact CD2-CD2 4.32Å; L19-Y151 HydrophobicContact CD2-CE1 4.36Å; L19-Y151 HydrophobicContact CD2-CE2 3.97Å
20L94.9Very high94.4Very high38 Ų3845.9 Ų45.920%0.19923%0.233CC..Hα-helixtrans-61.2-46-179.5-17372.3000111.3I16 I17 I23 W24 A73 T74 L77I16-L20 WeakPolarHBondContact O-CB 3.47Å; I16-L20 PolarHBondContact O-N 3.49Å; I17-L20 PolarHBondContact O-N 3.05Å; L20-I23 PolarHBondContact O-N 3.42Å; L20-W24 WeakPolarHBondContact O-CB 3.29Å; L20-W24 PolarHBondContact O-N 2.72Å; L20-A73 HydrophobicContact CD1-CB 3.95Å; L20-T74 WeakPolarHBondContact CD1-OG1 3.46Å; L20-L77 HydrophobicContact CD1-CD1 3.69Å
21L94.8Very high94.3Very high80 Ų8043 Ų4342%0.41923%0.225SC..Hα-helixtrans-66.7-36.6177-71.4179.2000112.1I17 L19 W24 K25I17-L21 HydrophobicContact CG2-CD1 3.63Å; I17-L21 HydrophobicContact CG2-CG 4.04Å; I17-L21 VanDerWaalsContact O-CB 3.3Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 VanDerWaalsContact O-CG 3.29Å; I17-L21 WeakPolarHBondContact O-CG 3.48Å; I17-L21 PolarHBondContact O-N 3.34Å; L19-L21 PolarHBondContact O-N 3.46Å; L21-W24 PolarHBondContact O-N 3.5Å; L21-K25 VanDerWaalsContact O-CB 3.28Å; L21-K25 WeakPolarHBondContact O-CB 3.3Å; L21-K25 WeakPolarHBondContact O-CG 3.38Å; L21-K25 PolarHBondContact O-N 3.5Å
22K94.4Very high94.2Very high15 Ų1542.6 Ų42.67%0.06522%0.222CC..Hα-helixtrans-57.1-53.1174.2-177.8-90.7-173.8179.10110.1I18 L19 W24 S26 A30 E145 I147I18-K22 VanDerWaalsContact O-CB 3.24Å; I18-K22 WeakPolarHBondContact O-CB 3.46Å; I18-K22 PolarHBondContact O-N 3.28Å; L19-K22 WeakPolarHBondContact O-CB 3.32Å; L19-K22 PolarHBondContact O-N 3.49Å; K22-W24 PolarHBondContact O-N 3.04Å; K22-S26 VanDerWaalsContact O-CB 3.28Å; K22-S26 WeakPolarHBondContact O-CB 3.24Å; K22-S26 PolarHBondContact O-N 2.98Å; K22-S26 PolarHBondContact O-OG 2.93Å; K22-A30 PolarHBondContact NZ-O 3.25Å; K22-A30 VanDerWaalsContact NZ-O 3.14Å; K22-E145 WeakPolarHBondContact CE-OE2 3.46Å; K22-E145 IonicContact NZ-OE2 2.73Å; K22-E145 PolarHBondContact NZ-OE2 2.63Å; K22-I147 HydrophobicContact CB-CG2 3.82Å; K22-I147 HydrophobicContact CG-CB 4.14Å; K22-I147 HydrophobicContact CG-CD1 4.47Å; K22-I147 HydrophobicContact CG-CG2 3.61Å
23I95.8Very high94.3Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-64.2-43.4-179.1-62.8166.9000110.3L19 L20 R27 S28 C29 T74 L77 I78 F82L19-I23 HydrophobicContact CD1-CD1 4Å; L19-I23 HydrophobicContact CD1-CG1 4.36Å; L19-I23 HydrophobicContact CG-CD1 4.1Å; L19-I23 WeakPolarHBondContact O-CG1 3.33Å; L19-I23 PolarHBondContact O-N 3.24Å; L20-I23 PolarHBondContact O-N 3.42Å; I23-R27 WeakPolarHBondContact O-CA 3.27Å; I23-R27 PolarHBondContact O-N 2.99Å; I23-S28 WeakPolarHBondContact CA-O 3.38Å; I23-S28 PolarHBondContact O-N 3.32Å; I23-C29 HydrophobicContact CG1-CB 4.43Å; I23-C29 HydrophobicContact CG2-CB 4.25Å; I23-T74 HydrophobicContact CD1-CG2 3.94Å; I23-L77 HydrophobicContact CB-CD1 4.25Å; I23-L77 HydrophobicContact CG2-CB 3.82Å; I23-L77 HydrophobicContact CG2-CD1 3.9Å; I23-L77 HydrophobicContact CG2-CG 4.48Å; I23-I78 HydrophobicContact CD1-CD1 4.32Å; I23-I78 HydrophobicContact CD1-CG1 4.14Å; I23-F82 HydrophobicContact CG2-CD2 3.6Å; I23-F82 HydrophobicContact CG2-CE2 4.06Å
24W95.9Very high94.4Very high112 Ų11240.9 Ų40.942%0.42421%0.213SC..Hα-helixtrans-65.6-45.3-178.8-176.2-97.7000113.7L20 L21 K22 R27 L77 K81L20-W24 WeakPolarHBondContact O-CB 3.29Å; L20-W24 PolarHBondContact O-N 2.72Å; L21-W24 PolarHBondContact O-N 3.5Å; K22-W24 PolarHBondContact O-N 3.04Å; W24-R27 VanDerWaalsContact CE2-NH1 3.31Å; W24-R27 VanDerWaalsContact O-CD 3.28Å; W24-R27 WeakPolarHBondContact O-CD 3.48Å; W24-R27 PolarHBondContact O-NE 3.28Å; W24-R27 PolarHBondContact O-NH1 2.91Å; W24-L77 HydrophobicContact CE3-CD1 4.33Å; W24-L77 HydrophobicContact CE3-CD2 3.99Å; W24-L77 HydrophobicContact CZ3-CD2 4.17Å; W24-K81 HydrophobicContact CZ3-CD 4.16Å
25K95.4Very high94.6Very high163 Ų16341.8 Ų41.871%0.70921%0.211SC*.Hα-helixtrans-75.5-41.1-177.4-72.3-174.9174.7-175.80112.3L21 R27L21-K25 VanDerWaalsContact O-CB 3.28Å; L21-K25 WeakPolarHBondContact O-CB 3.3Å; L21-K25 WeakPolarHBondContact O-CG 3.38Å; L21-K25 PolarHBondContact O-N 3.5Å; K25-R27 VanDerWaalsContact C-N 3.26Å; K25-R27 PolarHBondContact O-N 3.07Å
26S94.1Very high94.7Very high62 Ų6241.8 Ų41.843%0.43421%0.211SC..Hα-helixtrans-77.6-13177.566.10000113.4K22 S28K22-S26 VanDerWaalsContact O-CB 3.28Å; K22-S26 WeakPolarHBondContact O-CB 3.24Å; K22-S26 PolarHBondContact O-N 2.98Å; K22-S26 PolarHBondContact O-OG 2.93Å; S26-S28 PolarHBondContact O-N 2.97Å; S26-S28 PolarHBondContact OG-N 3.16Å; S26-S28 PolarHBondContact OG-O 3.42Å
27R95.4Very high94.9Very high128 Ų12841.5 Ų41.548%0.48321%0.21SC..THydrogen-bonded Turntrans55.327.4-173.4-54.4-65.2-171.9-168.29112.6I23 W24 K25 F82I23-R27 WeakPolarHBondContact O-CA 3.27Å; I23-R27 PolarHBondContact O-N 2.99Å; W24-R27 VanDerWaalsContact CE2-NH1 3.31Å; W24-R27 VanDerWaalsContact O-CD 3.28Å; W24-R27 WeakPolarHBondContact O-CD 3.48Å; W24-R27 PolarHBondContact O-NE 3.28Å; W24-R27 PolarHBondContact O-NH1 2.91Å; K25-R27 VanDerWaalsContact C-N 3.26Å; K25-R27 PolarHBondContact O-N 3.07Å; R27-F82 HydrophobicContact CB-CD1 4.29Å; R27-F82 HydrophobicContact CB-CE1 3.76Å; R27-F82 HydrophobicContact CB-CZ 4.21Å; R27-F82 VanDerWaalsContact CD-CZ 3.48Å; R27-F82 HydrophobicContact CG-CE1 4.31Å; R27-F82 HydrophobicContact CG-CZ 4.48Å; R27-F82 VanDerWaalsContact O-CD1 3.24Å; R27-F82 WeakPolarHBondContact O-CD1 3.16Å
28S93.4Very high95.1Very high28 Ų2841.3 Ų41.320%0.19621%0.211CC..  trans-145.5139.3-174.8177.60000111.5I23 S26 A30 T85I23-S28 WeakPolarHBondContact CA-O 3.38Å; I23-S28 PolarHBondContact O-N 3.32Å; S26-S28 PolarHBondContact O-N 2.97Å; S26-S28 PolarHBondContact OG-N 3.16Å; S26-S28 PolarHBondContact OG-O 3.42Å; S28-A30 WeakPolarHBondContact OG-CB 3.36Å; S28-A30 PolarHBondContact OG-N 3.32Å; S28-T85 WeakPolarHBondContact CA-OG1 3.48Å
29C93.8Very high95.3Very high0 Ų039.4 Ų39.40%020%0.201CC..  trans-107.818.7170.958.90000113I23 G31 I32 I78 F82 T85I23-C29 HydrophobicContact CG1-CB 4.43Å; I23-C29 HydrophobicContact CG2-CB 4.25Å; C29-G31 PolarHBondContact O-N 2.94Å; C29-I32 WeakPolarHBondContact O-CB 3.36Å; C29-I32 PolarHBondContact O-N 3.36Å; C29-I78 HydrophobicContact CB-CB 4.49Å; C29-I78 HydrophobicContact CB-CG1 3.86Å; C29-F82 PolarHBondContact SG-O 3.13Å; C29-F82 VanDerWaalsContact SG-O 3.37Å; C29-T85 PolarHBondContact N-OG1 3.27Å; C29-T85 PolarHBondContact SG-OG1 3.31Å
30A91.2Very high95.4Very high34 Ų3439.7 Ų39.728%0.28120%0.203SC..THydrogen-bonded Turntrans-54.3137.2174.900000111.6K22 S28 I32K22-A30 PolarHBondContact NZ-O 3.25Å; K22-A30 VanDerWaalsContact NZ-O 3.14Å; S28-A30 WeakPolarHBondContact OG-CB 3.36Å; S28-A30 PolarHBondContact OG-N 3.32Å; A30-I32 VanDerWaalsContact C-N 3.27Å; A30-I32 PolarHBondContact O-N 2.76Å
31G89.4Confident95.5Very high29 Ų2938.1 Ų38.130%0.29920%0.195SC..THydrogen-bonded Turntrans75.14.7-179.100000115.8C29 Q134C29-G31 PolarHBondContact O-N 2.94Å; G31-Q134 PolarHBondContact O-NE2 2.95Å
32I94.3Very high95.7Very high0 Ų037.2 Ų37.20%019%0.191CC..  trans-106.9127177.9-53.2-57000110L19 C29 A30 G34 Q37 I78 T148L19-I32 HydrophobicContact CD1-CD1 3.64Å; L19-I32 HydrophobicContact CD1-CG1 3.98Å; L19-I32 HydrophobicContact CD1-CG2 4.18Å; C29-I32 WeakPolarHBondContact O-CB 3.36Å; C29-I32 PolarHBondContact O-N 3.36Å; A30-I32 VanDerWaalsContact C-N 3.27Å; A30-I32 PolarHBondContact O-N 2.76Å; I32-G34 PolarHBondContact O-N 2.76Å; I32-Q37 HydrophobicContact CG2-CG 4.3Å; I32-I78 HydrophobicContact CG2-CD1 3.91Å; I32-T148 HydrophobicContact CD1-CG2 3.69Å
33S96Very high95.9Very high0 Ų036.5 Ų36.50%019%0.187CC..  trans-74.3113.5172.6173.10000109.6K35 S36 Q37 D91 P133S33-K35 PolarHBondContact O-N 2.88Å; S33-K35 PolarHBondContact OG-N 3.26Å; S33-S36 PolarHBondContact O-N 3.43Å; S33-S36 PolarHBondContact OG-N 2.59Å; S33-Q37 PolarHBondContact O-N 2.68Å; S33-D91 WeakPolarHBondContact CB-OD1 3.4Å; S33-D91 VanDerWaalsContact OG-CG 3.25Å; S33-D91 PolarHBondContact OG-OD1 3.21Å; S33-D91 PolarHBondContact OG-OD2 3.28Å; S33-P133 VanDerWaalsContact OG-CB 3.28Å; S33-P133 WeakPolarHBondContact OG-CB 3.4Å
34G96.9Very high96Very high0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-65.9-32.717300000111.2I32 Q37 V38 Y79 D91I32-G34 PolarHBondContact O-N 2.76Å; G34-Q37 PolarHBondContact O-N 3.14Å; G34-Q37 VanDerWaalsContact O-N 3.15Å; G34-V38 WeakPolarHBondContact O-CG2 3.33Å; G34-V38 PolarHBondContact O-N 3.36Å; G34-Y79 VanDerWaalsContact CA-OH 3.31Å; G34-Y79 WeakPolarHBondContact CA-OH 3.41Å; G34-D91 PolarHBondContact N-OD2 3.39Å
35K97.9Very high96.1Very high53 Ų5333.3 Ų33.323%0.2318%0.18CC..Hα-helixtrans-59.8-47.3176.7-73.8174.9174.2172.30112S33 Q37 V38 L39 Y79 D91 F93 V95 P133S33-K35 PolarHBondContact O-N 2.88Å; S33-K35 PolarHBondContact OG-N 3.26Å; K35-Q37 VanDerWaalsContact C-N 3.31Å; K35-Q37 PolarHBondContact O-N 2.98Å; K35-V38 PolarHBondContact O-N 2.91Å; K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 3.49Å; K35-Y79 PolarHBondContact N-OH 3.04Å; K35-D91 VanDerWaalsContact CE-O 3.27Å; K35-D91 WeakPolarHBondContact CE-O 3.28Å; K35-D91 PolarHBondContact N-OD2 3.12Å; K35-D91 VanDerWaalsContact N-OD2 3.14Å; K35-D91 PolarHBondContact NZ-O 3.23Å; K35-F93 VanDerWaalsContact CD-O 3.24Å; K35-F93 WeakPolarHBondContact CD-O 3.24Å; K35-F93 WeakPolarHBondContact CE-O 3.28Å; K35-F93 PolarHBondContact NZ-O 2.79Å; K35-V95 HydrophobicContact CB-CG1 3.86Å; K35-V95 HydrophobicContact CD-CG1 4.06Å; K35-V95 HydrophobicContact CG-CG1 4.12Å; K35-P133 HydrophobicContact CB-CB 3.83Å; K35-P133 HydrophobicContact CB-CG 4.16Å
36S97.1Very high96.2Very high0 Ų026.3 Ų26.30%015%0.151CC..Hα-helixtrans-59-41.1174.3-82.30000112.4S33 V38 L39 F40 A130 P133 Q134S33-S36 PolarHBondContact O-N 3.43Å; S33-S36 PolarHBondContact OG-N 2.59Å; S36-V38 PolarHBondContact O-N 2.92Å; S36-L39 PolarHBondContact O-N 3Å; S36-F40 WeakPolarHBondContact O-CD2 3.45Å; S36-F40 PolarHBondContact O-N 3.14Å; S36-A130 WeakPolarHBondContact CA-O 3.28Å; S36-A130 VanDerWaalsContact CB-O 3.29Å; S36-A130 WeakPolarHBondContact CB-O 3.47Å; S36-A130 PolarHBondContact OG-O 3.03Å; S36-P133 WeakPolarHBondContact OG-CB 3.16Å; S36-P133 WeakPolarHBondContact OG-CD 3.35Å; S36-Q134 PolarHBondContact OG-N 3.25Å
37Q98.1Very high96.3Very high12 Ų1224.9 Ų24.96%0.05614%0.136CC..Hα-helixtrans-67.2-35.7179-58.5-50.6-51.200112.6L19 I32 S33 G34 K35 F40 A41 T74 V75 I78 Y151L19-Q37 VanDerWaalsContact CD2-CD 3.49Å; L19-Q37 HydrophobicContact CD2-CG 4.41Å; I32-Q37 HydrophobicContact CG2-CG 4.3Å; S33-Q37 PolarHBondContact O-N 2.68Å; G34-Q37 PolarHBondContact O-N 3.14Å; G34-Q37 VanDerWaalsContact O-N 3.15Å; K35-Q37 VanDerWaalsContact C-N 3.31Å; K35-Q37 PolarHBondContact O-N 2.98Å; Q37-F40 PolarHBondContact O-N 3.2Å; Q37-A41 WeakPolarHBondContact O-CB 3.47Å; Q37-A41 PolarHBondContact O-N 3.29Å; Q37-T74 HydrophobicContact CB-CG2 4.38Å; Q37-T74 HydrophobicContact CG-CG2 3.91Å; Q37-V75 HydrophobicContact CB-CG2 4.04Å; Q37-I78 HydrophobicContact CB-CD1 4.11Å; Q37-I78 HydrophobicContact CG-CD1 3.61Å; Q37-Y151 PolarHBondContact NE2-OH 2.94Å
38V98.4Very high96.3Very high65 Ų6520.3 Ų20.339%0.39412%0.119SC..Hα-helixtrans-64.3-42.2172.2170.70000110.9G34 K35 S36 A41 L42 V75 Y79G34-V38 WeakPolarHBondContact O-CG2 3.33Å; G34-V38 PolarHBondContact O-N 3.36Å; K35-V38 PolarHBondContact O-N 2.91Å; S36-V38 PolarHBondContact O-N 2.92Å; V38-A41 PolarHBondContact O-N 3.06Å; V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 PolarHBondContact O-N 3.06Å; V38-V75 HydrophobicContact CG2-CG1 4.08Å; V38-V75 HydrophobicContact CG2-CG2 4.18Å; V38-Y79 HydrophobicContact CG2-CD2 4.41Å; V38-Y79 HydrophobicContact CG2-CE2 3.68Å
39L98.3Very high96.4Very high5 Ų521.8 Ų21.83%0.02613%0.125CC..Hα-helixtrans-63.5-43.7176.1-64.6-178000111.7K35 S36 A41 L42 V43 V95 L98 V99 L126 A130 P133K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 3.49Å; S36-L39 PolarHBondContact O-N 3Å; L39-A41 PolarHBondContact O-N 3.38Å; L39-L42 WeakPolarHBondContact O-CB 3.48Å; L39-L42 PolarHBondContact O-N 3.18Å; L39-V43 WeakPolarHBondContact O-CG2 3.32Å; L39-V43 PolarHBondContact O-N 3.45Å; L39-V95 HydrophobicContact CD1-CG1 4.17Å; L39-V95 HydrophobicContact CD2-CB 4.46Å; L39-V95 HydrophobicContact CG-CG1 4.49Å; L39-L98 HydrophobicContact CD1-CD1 3.99Å; L39-V99 HydrophobicContact CD2-CG2 3.78Å; L39-L126 HydrophobicContact CD2-CD1 4.22Å; L39-A130 HydrophobicContact CB-CB 3.81Å; L39-P133 HydrophobicContact CD1-CG 4.07Å
40F97.8Very high96.2Very high9 Ų924 Ų244%0.03914%0.136CC..Hα-helixtrans-63.6-39.4174.7-73-56.3000112.7S36 Q37 L42 V43 F44 E127 A130 I131 L155S36-F40 WeakPolarHBondContact O-CD2 3.45Å; S36-F40 PolarHBondContact O-N 3.14Å; Q37-F40 PolarHBondContact O-N 3.2Å; F40-L42 VanDerWaalsContact C-N 3.33Å; F40-L42 PolarHBondContact O-N 3.01Å; F40-V43 WeakPolarHBondContact O-CB 3.45Å; F40-V43 PolarHBondContact O-N 3.23Å; F40-F44 WeakPolarHBondContact O-CD2 3.44Å; F40-F44 PolarHBondContact O-N 3.32Å; F40-F44 VanDerWaalsContact O-N 3.07Å; F40-E127 HydrophobicContact CE1-CG 4.39Å; F40-A130 HydrophobicContact CD1-CB 3.83Å; F40-A130 HydrophobicContact CE1-CB 3.6Å; F40-A130 HydrophobicContact CE2-CB 4.44Å; F40-A130 HydrophobicContact CG-CB 4.34Å; F40-A130 HydrophobicContact CZ-CB 3.92Å; F40-I131 HydrophobicContact CE2-CD1 3.95Å; F40-I131 HydrophobicContact CZ-CB 4.25Å; F40-I131 HydrophobicContact CZ-CD1 4.05Å; F40-L155 HydrophobicContact CE2-CD2 4.18Å; F40-L155 HydrophobicContact CZ-CD2 3.89Å
41A98.2Very high96.2Very high5 Ų524.7 Ų24.74%0.04114%0.135CC..Hα-helixtrans-60.6-44.6172.900000111.2Q37 V38 L39 V43 F44 T45 A71 V75Q37-A41 WeakPolarHBondContact O-CB 3.47Å; Q37-A41 PolarHBondContact O-N 3.29Å; V38-A41 PolarHBondContact O-N 3.06Å; L39-A41 PolarHBondContact O-N 3.38Å; A41-V43 VanDerWaalsContact C-N 3.35Å; A41-V43 PolarHBondContact O-N 3.15Å; A41-F44 PolarHBondContact O-N 2.95Å; A41-T45 WeakPolarHBondContact O-CB 3.45Å; A41-T45 PolarHBondContact O-N 3.24Å; A41-T45 PolarHBondContact O-OG1 3.38Å; A41-A71 HydrophobicContact CB-CB 4.07Å; A41-V75 HydrophobicContact CB-CG2 4.13Å
42L98.3Very high96.2Very high62 Ų6230.7 Ų30.733%0.32516%0.159SC..Hα-helixtrans-62.8-39.4176.7-176.960.9000112.5V38 L39 F40 T45 T46 F122 L126V38-L42 WeakPolarHBondContact O-CB 3.48Å; V38-L42 PolarHBondContact O-N 3.06Å; L39-L42 WeakPolarHBondContact O-CB 3.48Å; L39-L42 PolarHBondContact O-N 3.18Å; F40-L42 VanDerWaalsContact C-N 3.33Å; F40-L42 PolarHBondContact O-N 3.01Å; L42-T45 PolarHBondContact O-N 3.38Å; L42-T46 HydrophobicContact CD1-CG2 4.05Å; L42-T46 WeakPolarHBondContact O-CB 2.91Å; L42-T46 WeakPolarHBondContact O-CG2 3.23Å; L42-T46 PolarHBondContact O-N 3.37Å; L42-T46 PolarHBondContact O-OG1 2.72Å; L42-F122 HydrophobicContact CD2-CE1 4.07Å; L42-F122 HydrophobicContact CD2-CZ 4.02Å; L42-F122 HydrophobicContact CG-CE1 4.09Å; L42-L126 HydrophobicContact CB-CD2 4.21Å; L42-L126 HydrophobicContact CD2-CD2 3.76Å; L42-L126 HydrophobicContact CG-CD2 3.96Å
43V98.3Very high95.9Very high0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-55.9-53.3172.7165.30000110.5L39 F40 A41 T45 T46 R47 L126 E127L39-V43 WeakPolarHBondContact O-CG2 3.32Å; L39-V43 PolarHBondContact O-N 3.45Å; F40-V43 WeakPolarHBondContact O-CB 3.45Å; F40-V43 PolarHBondContact O-N 3.23Å; A41-V43 VanDerWaalsContact C-N 3.35Å; A41-V43 PolarHBondContact O-N 3.15Å; V43-T45 PolarHBondContact O-N 3.02Å; V43-T46 PolarHBondContact O-N 3.15Å; V43-T46 PolarHBondContact O-OG1 2.85Å; V43-R47 WeakPolarHBondContact O-CB 3.32Å; V43-R47 PolarHBondContact O-N 3.42Å; V43-L126 HydrophobicContact CG2-CB 3.93Å; V43-L126 HydrophobicContact CG2-CD2 3.87Å; V43-L126 HydrophobicContact CG2-CG 3.86Å; V43-E127 HydrophobicContact CB-CB 4.5Å; V43-E127 HydrophobicContact CG1-CB 3.82Å; V43-E127 HydrophobicContact CG1-CG 4.05Å; V43-E127 HydrophobicContact CG2-CB 3.84Å; V43-E127 HydrophobicContact CG2-CG 4.5Å
44F97.6Very high95.6Very high3 Ų337.9 Ų37.91%0.01321%0.206CC..Hα-helixtrans-67.1-38.1-177.9-62.5-45.3000112.5H12 I16 F40 A41 Y48 Y67 I68 A71H12-F44 AromaticContact CE1-CE1 3.8Å; H12-F44 AromaticContact CE1-CZ 3.53Å; H12-F44 AromaticContact NE2-CZ 3.72Å; I16-F44 HydrophobicContact CD1-CE2 4.06Å; I16-F44 HydrophobicContact CD1-CZ 4.01Å; F40-F44 WeakPolarHBondContact O-CD2 3.44Å; F40-F44 PolarHBondContact O-N 3.32Å; F40-F44 VanDerWaalsContact O-N 3.07Å; A41-F44 PolarHBondContact O-N 2.95Å; F44-Y48 HydrophobicContact CB-CD2 3.91Å; F44-Y48 HydrophobicContact CB-CE2 3.86Å; F44-Y48 HydrophobicContact CD1-CD2 4.29Å; F44-Y48 AromaticContact CD1-CE2 3.4Å; F44-Y48 HydrophobicContact CD1-CE2 3.4Å; F44-Y48 VanDerWaalsContact CD1-CE2 3.4Å; F44-Y48 AromaticContact CD1-CZ 3.86Å; F44-Y48 HydrophobicContact CE1-CE2 4.26Å; F44-Y48 HydrophobicContact CG-CD2 4.48Å; F44-Y48 AromaticContact CG-CE2 3.93Å; F44-Y48 HydrophobicContact CG-CE2 3.93Å; F44-Y48 VanDerWaalsContact O-CB 3.3Å; F44-Y48 WeakPolarHBondContact O-CB 3.34Å; F44-Y48 VanDerWaalsContact O-CD2 3.27Å; F44-Y48 WeakPolarHBondContact O-CD2 3.49Å; F44-Y48 PolarHBondContact O-N 2.98Å; F44-Y67 HydrophobicContact CE1-CD1 4.34Å; F44-Y67 HydrophobicContact CE1-CG 4.34Å; F44-Y67 HydrophobicContact CE2-CD1 4.47Å; F44-Y67 HydrophobicContact CZ-CD1 4.03Å; F44-Y67 HydrophobicContact CZ-CG 4.4Å; F44-I68 HydrophobicContact CB-CG1 4.06Å; F44-A71 HydrophobicContact CD2-CB 3.74Å; F44-A71 HydrophobicContact CE2-CB 4.14Å
45T97.8Very high95.4Very high42 Ų4245.1 Ų45.126%0.25824%0.238SC..Hα-helixtrans-60.8-46.2176.5-61.60000111.7A41 L42 V43 L49 Y72A41-T45 WeakPolarHBondContact O-CB 3.45Å; A41-T45 PolarHBondContact O-N 3.24Å; A41-T45 PolarHBondContact O-OG1 3.38Å; L42-T45 PolarHBondContact O-N 3.38Å; V43-T45 PolarHBondContact O-N 3.02Å; T45-L49 WeakPolarHBondContact O-CD2 3.28Å; T45-L49 VanDerWaalsContact O-CG 3.29Å; T45-L49 WeakPolarHBondContact O-CG 3.47Å; T45-Y72 VanDerWaalsContact OG1-CE2 3.3Å; T45-Y72 WeakPolarHBondContact OG1-CE2 3.34Å; T45-Y72 PolarHBondContact OG1-OH 3.16Å
46T97.4Very high95Very high15 Ų1547.9 Ų47.99%0.09225%0.254CS..Hα-helixtrans-75.8-35.8-178.750.50000112.8L42 V43 L119 F122 S123L42-T46 HydrophobicContact CD1-CG2 4.05Å; L42-T46 WeakPolarHBondContact O-CB 2.91Å; L42-T46 WeakPolarHBondContact O-CG2 3.23Å; L42-T46 PolarHBondContact O-N 3.37Å; L42-T46 PolarHBondContact O-OG1 2.72Å; V43-T46 PolarHBondContact O-N 3.15Å; V43-T46 PolarHBondContact O-OG1 2.85Å; T46-L119 HydrophobicContact CG2-CD2 4.1Å; T46-F122 HydrophobicContact CG2-CD1 3.97Å; T46-F122 HydrophobicContact CG2-CE1 4.05Å; T46-S123 WeakPolarHBondContact OG1-CB 3.4Å
47R97.1Very high94.7Very high32 Ų3250 Ų5012%0.12127%0.268CS..Hα-helixtrans-69.5-36.5179.6-169.8170.8-67.4169.6-3113.7V43 S123 E127V43-R47 WeakPolarHBondContact O-CB 3.32Å; V43-R47 PolarHBondContact O-N 3.42Å; R47-S123 WeakPolarHBondContact CB-OG 2.74Å; R47-S123 PolarHBondContact NE-OG 3.41Å; R47-S123 VanDerWaalsContact NH2-C 3.34Å; R47-S123 PolarHBondContact NH2-O 3.07Å; R47-E127 IonicContact CZ-OE2 3.93Å; R47-E127 IonicContact NH1-OE1 2.97Å; R47-E127 PolarHBondContact NH1-OE1 2.85Å; R47-E127 IonicContact NH1-OE2 3.84Å; R47-E127 PolarHBondContact NH1-OE2 3.37Å; R47-E127 IonicContact NH2-OE2 3.24Å; R47-E127 PolarHBondContact NH2-OE2 2.99Å
48Y96.1Very high94.5Very high32 Ų3255.4 Ų55.413%0.12530%0.297CS..THydrogen-bonded Turntrans-105.120.3-168.6-56.5-33.9000113.3F44 D50 L51 K64 Y67 I68F44-Y48 HydrophobicContact CB-CD2 3.91Å; F44-Y48 HydrophobicContact CB-CE2 3.86Å; F44-Y48 HydrophobicContact CD1-CD2 4.29Å; F44-Y48 AromaticContact CD1-CE2 3.4Å; F44-Y48 HydrophobicContact CD1-CE2 3.4Å; F44-Y48 VanDerWaalsContact CD1-CE2 3.4Å; F44-Y48 AromaticContact CD1-CZ 3.86Å; F44-Y48 HydrophobicContact CE1-CE2 4.26Å; F44-Y48 HydrophobicContact CG-CD2 4.48Å; F44-Y48 AromaticContact CG-CE2 3.93Å; F44-Y48 HydrophobicContact CG-CE2 3.93Å; F44-Y48 VanDerWaalsContact O-CB 3.3Å; F44-Y48 WeakPolarHBondContact O-CB 3.34Å; F44-Y48 VanDerWaalsContact O-CD2 3.27Å; F44-Y48 WeakPolarHBondContact O-CD2 3.49Å; F44-Y48 PolarHBondContact O-N 2.98Å; Y48-D50 WeakPolarHBondContact CA-OD1 3.4Å; Y48-D50 PolarHBondContact O-N 3.34Å; Y48-L51 VanDerWaalsContact O-CB 3.24Å; Y48-L51 WeakPolarHBondContact O-CB 3.42Å; Y48-L51 WeakPolarHBondContact O-CG 3.37Å; Y48-L51 PolarHBondContact O-N 3.1Å; Y48-K64 HydrophobicContact CD1-CB 4.44Å; Y48-K64 HydrophobicContact CD1-CD 3.72Å; Y48-K64 HydrophobicContact CD1-CG 3.66Å; Y48-K64 HydrophobicContact CD2-CB 3.96Å; Y48-K64 HydrophobicContact CD2-CG 4.03Å; Y48-K64 HydrophobicContact CE1-CD 4.34Å; Y48-K64 HydrophobicContact CE1-CG 3.89Å; Y48-K64 HydrophobicContact CE2-CB 4.36Å; Y48-K64 HydrophobicContact CE2-CG 4.24Å; Y48-K64 HydrophobicContact CG-CB 4.01Å; Y48-K64 HydrophobicContact CG-CD 3.91Å; Y48-K64 HydrophobicContact CG-CG 3.74Å; Y48-Y67 HydrophobicContact CE2-CD2 4.27Å; Y48-Y67 HydrophobicContact CE2-CG 4.44Å; Y48-I68 HydrophobicContact CD2-CD1 4.1Å; Y48-I68 HydrophobicContact CD2-CG1 3.97Å
49L93.7Very high94Very high60 Ų6056.7 Ų56.731%0.31430%0.296SS..G310 helixtrans-59.4-25.7171.6-68.4177.6000112.5T45 L51 L52 L116 L119T45-L49 WeakPolarHBondContact O-CD2 3.28Å; T45-L49 VanDerWaalsContact O-CG 3.29Å; T45-L49 WeakPolarHBondContact O-CG 3.47Å; L49-L51 PolarHBondContact O-N 3.17Å; L49-L51 VanDerWaalsContact O-N 3.12Å; L49-L52 PolarHBondContact O-N 3.08Å; L49-L52 VanDerWaalsContact O-N 3.11Å; L49-L116 HydrophobicContact CB-CD2 4Å; L49-L119 HydrophobicContact CD1-CB 4.35Å; L49-L119 HydrophobicContact CD1-CD1 3.42Å; L49-L119 VanDerWaalsContact CD1-CD1 3.42Å; L49-L119 HydrophobicContact CD1-CG 4.44Å
50D90.8Very high93.6Very high46 Ų4658.2 Ų58.225%0.24630%0.304CS..G310 helixtrans-62.1-12.8173.470.8-24.4000113.7Y48 L52 T53 S54 K64Y48-D50 WeakPolarHBondContact CA-OD1 3.4Å; Y48-D50 PolarHBondContact O-N 3.34Å; D50-L52 PolarHBondContact O-N 3.07Å; D50-T53 WeakPolarHBondContact CA-OG1 3.31Å; D50-T53 PolarHBondContact O-N 2.94Å; D50-T53 VanDerWaalsContact O-N 3.1Å; D50-T53 PolarHBondContact O-OG1 3.32Å; D50-S54 PolarHBondContact O-N 3.47Å; D50-K64 IonicContact OD1-NZ 3.24Å; D50-K64 PolarHBondContact OD1-NZ 3.33Å; D50-K64 IonicContact OD2-NZ 2.68Å; D50-K64 PolarHBondContact OD2-NZ 2.94Å
51L91.4Very high93.4Very high49 Ų4959.2 Ų59.226%0.25731%0.311SS..G310 helixtrans-55.3-29.9168.6-82.6173.2000113Y48 L49 T61 K64 I65 I68Y48-L51 VanDerWaalsContact O-CB 3.24Å; Y48-L51 WeakPolarHBondContact O-CB 3.42Å; Y48-L51 WeakPolarHBondContact O-CG 3.37Å; Y48-L51 PolarHBondContact O-N 3.1Å; L49-L51 PolarHBondContact O-N 3.17Å; L49-L51 VanDerWaalsContact O-N 3.12Å; L51-T61 HydrophobicContact CD2-CG2 3.88Å; L51-K64 HydrophobicContact CD1-CB 3.85Å; L51-K64 HydrophobicContact CD1-CD 4.36Å; L51-K64 HydrophobicContact CD2-CB 4Å; L51-K64 HydrophobicContact CD2-CD 3.73Å; L51-K64 HydrophobicContact CG-CB 4.13Å; L51-K64 HydrophobicContact CG-CD 3.77Å; L51-I65 HydrophobicContact CD1-CG1 4.49Å; L51-I68 HydrophobicContact CD1-CD1 3.87Å
52L88.4Confident93.2Very high155 Ų15561.8 Ų61.881%0.81233%0.326SS*.G310 helixtrans-83.4-17.6-178.9-57.5-180000112.6L49 D50L49-L52 PolarHBondContact O-N 3.08Å; L49-L52 VanDerWaalsContact O-N 3.11Å; D50-L52 PolarHBondContact O-N 3.07Å
53T88.2Confident92.9Very high91 Ų9159.8 Ų59.856%0.55832%0.315SS*.THydrogen-bonded Turntrans-117.8-21.5-170.558.50000113.3D50D50-T53 WeakPolarHBondContact CA-OG1 3.31Å; D50-T53 PolarHBondContact O-N 2.94Å; D50-T53 VanDerWaalsContact O-N 3.1Å; D50-T53 PolarHBondContact O-OG1 3.32Å
54S89.1Confident92.8Very high60 Ų6060.3 Ų60.342%0.4232%0.318SS..  trans-144.6127.6-167.2-57.90000112.2D50D50-S54 PolarHBondContact O-N 3.47Å
55F92.6Very high92.7Very high151 Ų15165 Ų6566%0.66234%0.341SS*.  trans-105.4113.3170.6-179.9-96.4000109.7
56I90.4Very high92.6Very high111 Ų11166 Ų6657%0.56935%0.345SS*.  trans-94.3-53178.7-58.6167.5000110.2N60I56-N60 HydrophobicContact CB-CB 4.25Å
57S91.4Very high92.5Very high44 Ų4465.7 Ų65.731%0.30834%0.342SS..  trans-165.6160.117769.50000110.9Y59 N60 T61S57-Y59 VanDerWaalsContact C-N 3.26Å; S57-Y59 PolarHBondContact O-N 3.03Å; S57-N60 PolarHBondContact O-N 3.23Å; S57-N60 VanDerWaalsContact O-N 3.15Å; S57-N60 WeakPolarHBondContact OG-CB 3.47Å; S57-N60 PolarHBondContact OG-N 2.98Å; S57-N60 VanDerWaalsContact OG-N 3.16Å; S57-T61 PolarHBondContact O-N 3.05Å; S57-T61 PolarHBondContact O-OG1 3.19Å
58L92.5Very high92.5Very high127 Ų12766.2 Ų66.267%0.66535%0.347SS*.Hα-helixtrans-56.4-42.1176-178.963.1000111.8T62L58-T62 WeakPolarHBondContact O-CB 3.37Å; L58-T62 PolarHBondContact O-N 2.72Å; L58-T62 PolarHBondContact O-OG1 2.9Å
59Y88.3Confident92.6Very high92 Ų9266.7 Ų66.736%0.36136%0.362SS..Hα-helixtrans-61.2-47.8176.9175.9-96.5000111.7M1 S57 T62 M63M1-Y59 HydrophobicContact CE-CE1 4.41Å; S57-Y59 VanDerWaalsContact C-N 3.26Å; S57-Y59 PolarHBondContact O-N 3.03Å; Y59-T62 PolarHBondContact O-N 3.41Å; Y59-M63 HydrophobicContact CD1-CG 4.33Å; Y59-M63 HydrophobicContact CD2-CG 4.21Å; Y59-M63 HydrophobicContact CE1-CG 3.95Å; Y59-M63 HydrophobicContact CE2-CG 3.81Å; Y59-M63 HydrophobicContact CE2-SD 4.19Å; Y59-M63 HydrophobicContact CG-CG 4.45Å; Y59-M63 WeakPolarHBondContact O-CB 3.13Å; Y59-M63 VanDerWaalsContact O-CG 3.28Å; Y59-M63 WeakPolarHBondContact O-CG 3.5Å; Y59-M63 PolarHBondContact O-N 3.39Å
60N90.1Very high92.8Very high36 Ų3664.9 Ų64.919%0.19335%0.354CS..Hα-helixtrans-61.3-49.6-179.8-177.2-90.4000111.5I56 S57 T62 M63 K64I56-N60 HydrophobicContact CB-CB 4.25Å; S57-N60 PolarHBondContact O-N 3.23Å; S57-N60 VanDerWaalsContact O-N 3.15Å; S57-N60 WeakPolarHBondContact OG-CB 3.47Å; S57-N60 PolarHBondContact OG-N 2.98Å; S57-N60 VanDerWaalsContact OG-N 3.16Å; N60-T62 PolarHBondContact O-N 2.84Å; N60-M63 PolarHBondContact O-N 2.95Å; N60-K64 WeakPolarHBondContact O-CG 3.31Å; N60-K64 PolarHBondContact O-N 3.24Å; N60-K64 WeakPolarHBondContact OD1-CE 3.43Å; N60-K64 PolarHBondContact OD1-NZ 3.06Å
61T93.7Very high93.1Very high30 Ų3063 Ų6318%0.18434%0.344CS..Hα-helixtrans-60.7-46.3178.8-58.30000111.2L51 S57 M63 K64 I65L51-T61 HydrophobicContact CD2-CG2 3.88Å; S57-T61 PolarHBondContact O-N 3.05Å; S57-T61 PolarHBondContact O-OG1 3.19Å; T61-M63 PolarHBondContact O-N 3.1Å; T61-K64 PolarHBondContact O-N 3.39Å; T61-I65 HydrophobicContact CG2-CD1 4.01Å; T61-I65 WeakPolarHBondContact O-CG1 3.41Å; T61-I65 PolarHBondContact O-N 3.49Å; T61-I65 VanDerWaalsContact O-N 3.07Å
62T94.1Very high93.4Very high60 Ų6066.2 Ų66.237%0.36835%0.354SS..Hα-helixtrans-62.1-46-179.9-58.20000111.5L58 Y59 N60 K64 I65 I66L58-T62 WeakPolarHBondContact O-CB 3.37Å; L58-T62 PolarHBondContact O-N 2.72Å; L58-T62 PolarHBondContact O-OG1 2.9Å; Y59-T62 PolarHBondContact O-N 3.41Å; N60-T62 PolarHBondContact O-N 2.84Å; T62-K64 PolarHBondContact O-N 3.15Å; T62-I65 PolarHBondContact O-N 3.01Å; T62-I66 HydrophobicContact CG2-CD1 3.83Å; T62-I66 HydrophobicContact CG2-CG1 4.46Å; T62-I66 VanDerWaalsContact O-CG1 3.31Å; T62-I66 WeakPolarHBondContact O-CG1 3.31Å; T62-I66 PolarHBondContact O-N 3.26Å
63M92.2Very high93.9Very high19 Ų1960.7 Ų60.79%0.09433%0.33CS..Hα-helixtrans-61.9-43.8178.7-74.2-64.4-65.500112.1L13 Y59 N60 T61 I65 I66 Y67L13-M63 HydrophobicContact CB-CE 4.32Å; L13-M63 HydrophobicContact CD2-CE 4.04Å; L13-M63 HydrophobicContact CD2-SD 4.24Å; Y59-M63 HydrophobicContact CD1-CG 4.33Å; Y59-M63 HydrophobicContact CD2-CG 4.21Å; Y59-M63 HydrophobicContact CE1-CG 3.95Å; Y59-M63 HydrophobicContact CE2-CG 3.81Å; Y59-M63 HydrophobicContact CE2-SD 4.19Å; Y59-M63 HydrophobicContact CG-CG 4.45Å; Y59-M63 WeakPolarHBondContact O-CB 3.13Å; Y59-M63 VanDerWaalsContact O-CG 3.28Å; Y59-M63 WeakPolarHBondContact O-CG 3.5Å; Y59-M63 PolarHBondContact O-N 3.39Å; N60-M63 PolarHBondContact O-N 2.95Å; T61-M63 PolarHBondContact O-N 3.1Å; M63-I65 VanDerWaalsContact C-N 3.35Å; M63-I65 PolarHBondContact O-N 3.06Å; M63-I66 PolarHBondContact O-N 3.03Å; M63-Y67 HydrophobicContact CB-CD2 4.49Å; M63-Y67 HydrophobicContact CB-CE2 4.32Å; M63-Y67 HydrophobicContact CE-CE2 3.69Å; M63-Y67 WeakPolarHBondContact O-CD2 3.12Å; M63-Y67 PolarHBondContact O-N 3.48Å
64K95.3Very high94.4Very high12 Ų1256.4 Ų56.45%0.05230%0.304CS..Hα-helixtrans-60.6-43.6176.8-69.7178.7174.71790111.8Y48 D50 L51 N60 T61 T62 I66 Y67 I68Y48-K64 HydrophobicContact CD1-CB 4.44Å; Y48-K64 HydrophobicContact CD1-CD 3.72Å; Y48-K64 HydrophobicContact CD1-CG 3.66Å; Y48-K64 HydrophobicContact CD2-CB 3.96Å; Y48-K64 HydrophobicContact CD2-CG 4.03Å; Y48-K64 HydrophobicContact CE1-CD 4.34Å; Y48-K64 HydrophobicContact CE1-CG 3.89Å; Y48-K64 HydrophobicContact CE2-CB 4.36Å; Y48-K64 HydrophobicContact CE2-CG 4.24Å; Y48-K64 HydrophobicContact CG-CB 4.01Å; Y48-K64 HydrophobicContact CG-CD 3.91Å; Y48-K64 HydrophobicContact CG-CG 3.74Å; D50-K64 IonicContact OD1-NZ 3.24Å; D50-K64 PolarHBondContact OD1-NZ 3.33Å; D50-K64 IonicContact OD2-NZ 2.68Å; D50-K64 PolarHBondContact OD2-NZ 2.94Å; L51-K64 HydrophobicContact CD1-CB 3.85Å; L51-K64 HydrophobicContact CD1-CD 4.36Å; L51-K64 HydrophobicContact CD2-CB 4Å; L51-K64 HydrophobicContact CD2-CD 3.73Å; L51-K64 HydrophobicContact CG-CB 4.13Å; L51-K64 HydrophobicContact CG-CD 3.77Å; N60-K64 WeakPolarHBondContact O-CG 3.31Å; N60-K64 PolarHBondContact O-N 3.24Å; N60-K64 WeakPolarHBondContact OD1-CE 3.43Å; N60-K64 PolarHBondContact OD1-NZ 3.06Å; T61-K64 PolarHBondContact O-N 3.39Å; T62-K64 PolarHBondContact O-N 3.15Å; K64-I66 PolarHBondContact O-N 3.45Å; K64-Y67 PolarHBondContact O-N 2.94Å; K64-I68 WeakPolarHBondContact O-CG1 3.26Å; K64-I68 PolarHBondContact O-N 3.26Å
65I96.1Very high94.8Very high100 Ų10054.9 Ų54.951%0.51329%0.292SS..Hα-helixtrans-61.9-43.7176.1-67.9168.9000110.9L51 T61 T62 M63 I68 G69L51-I65 HydrophobicContact CD1-CG1 4.49Å; T61-I65 HydrophobicContact CG2-CD1 4.01Å; T61-I65 WeakPolarHBondContact O-CG1 3.41Å; T61-I65 PolarHBondContact O-N 3.49Å; T61-I65 VanDerWaalsContact O-N 3.07Å; T62-I65 PolarHBondContact O-N 3.01Å; M63-I65 VanDerWaalsContact C-N 3.35Å; M63-I65 PolarHBondContact O-N 3.06Å; I65-I68 PolarHBondContact O-N 3.37Å; I65-G69 PolarHBondContact O-N 2.93Å
66I96Very high95.1Very high64 Ų6453.3 Ų53.333%0.32828%0.283SS..Hα-helixtrans-61.5-46.2177.1-69.8168.6000110.8L13 T62 M63 K64 G69 C70L13-I66 HydrophobicContact CD1-CG2 3.6Å; T62-I66 HydrophobicContact CG2-CD1 3.83Å; T62-I66 HydrophobicContact CG2-CG1 4.46Å; T62-I66 VanDerWaalsContact O-CG1 3.31Å; T62-I66 WeakPolarHBondContact O-CG1 3.31Å; T62-I66 PolarHBondContact O-N 3.26Å; M63-I66 PolarHBondContact O-N 3.03Å; K64-I66 PolarHBondContact O-N 3.45Å; I66-G69 PolarHBondContact O-N 3.33Å; I66-C70 WeakPolarHBondContact O-CB 3.29Å; I66-C70 PolarHBondContact O-N 3.49Å; I66-C70 PolarHBondContact O-SG 3.37Å; I66-C70 VanDerWaalsContact O-SG 3.39Å
67Y95.6Very high95.4Very high8 Ų848.4 Ų48.43%0.03126%0.257CS..Hα-helixtrans-59.1-49.5178.5-77.9-56.3000112.3D9 H12 L13 I16 F44 Y48 M63 K64 A71D9-Y67 PolarHBondContact O-OH 3.42Å; H12-Y67 HydrophobicContact CB-CE1 4.41Å; H12-Y67 AromaticContact CG-CE1 3.98Å; H12-Y67 AromaticContact ND1-CE1 3.93Å; L13-Y67 HydrophobicContact CB-CE1 4.46Å; I16-Y67 HydrophobicContact CD1-CD1 3.39Å; I16-Y67 HydrophobicContact CD1-CE1 3.62Å; F44-Y67 HydrophobicContact CE1-CD1 4.34Å; F44-Y67 HydrophobicContact CE1-CG 4.34Å; F44-Y67 HydrophobicContact CE2-CD1 4.47Å; F44-Y67 HydrophobicContact CZ-CD1 4.03Å; F44-Y67 HydrophobicContact CZ-CG 4.4Å; Y48-Y67 HydrophobicContact CE2-CD2 4.27Å; Y48-Y67 HydrophobicContact CE2-CG 4.44Å; M63-Y67 HydrophobicContact CB-CD2 4.49Å; M63-Y67 HydrophobicContact CB-CE2 4.32Å; M63-Y67 HydrophobicContact CE-CE2 3.69Å; M63-Y67 WeakPolarHBondContact O-CD2 3.12Å; M63-Y67 PolarHBondContact O-N 3.48Å; K64-Y67 PolarHBondContact O-N 2.94Å; Y67-A71 VanDerWaalsContact O-CB 3.28Å; Y67-A71 WeakPolarHBondContact O-CB 3.42Å; Y67-A71 PolarHBondContact O-N 2.98Å
68I97.2Very high95.7Very high43 Ų4346.3 Ų46.322%0.22124%0.243CC..Hα-helixtrans-60.9-52177.3-65.4168.1000109.8F44 Y48 L51 K64 I65 C70 A71 Y72F44-I68 HydrophobicContact CB-CG1 4.06Å; Y48-I68 HydrophobicContact CD2-CD1 4.1Å; Y48-I68 HydrophobicContact CD2-CG1 3.97Å; L51-I68 HydrophobicContact CD1-CD1 3.87Å; K64-I68 WeakPolarHBondContact O-CG1 3.26Å; K64-I68 PolarHBondContact O-N 3.26Å; I65-I68 PolarHBondContact O-N 3.37Å; I68-C70 PolarHBondContact O-N 2.8Å; I68-A71 PolarHBondContact O-N 2.93Å; I68-Y72 HydrophobicContact CG2-CD2 3.71Å; I68-Y72 HydrophobicContact CG2-CE2 3.88Å; I68-Y72 WeakPolarHBondContact O-CD2 3.38Å; I68-Y72 PolarHBondContact O-N 3.25Å
69G97.9Very high96Very high43 Ų4343.8 Ų43.844%0.44323%0.225SC..Hα-helixtrans-57.6-47.1-177.500000112.6I65 I66 A73I65-G69 PolarHBondContact O-N 2.93Å; I66-G69 PolarHBondContact O-N 3.33Å; G69-A73 WeakPolarHBondContact O-CB 3.41Å; G69-A73 PolarHBondContact O-N 3.43Å
70C97.5Very high96.4Very high22 Ų2245.9 Ų45.915%0.14924%0.24CC..Hα-helixtrans-68.8-36.7178.4-70.20000113I16 I66 I68 A73 T74I16-C70 HydrophobicContact CG2-CB 3.36Å; I66-C70 WeakPolarHBondContact O-CB 3.29Å; I66-C70 PolarHBondContact O-N 3.49Å; I66-C70 PolarHBondContact O-SG 3.37Å; I66-C70 VanDerWaalsContact O-SG 3.39Å; I68-C70 PolarHBondContact O-N 2.8Å; C70-A73 PolarHBondContact O-N 3.4Å; C70-T74 WeakPolarHBondContact O-CB 3.4Å; C70-T74 PolarHBondContact O-N 3.17Å; C70-T74 PolarHBondContact O-OG1 2.99Å
71A97.4Very high96.7Very high5 Ų548.7 Ų48.74%0.04125%0.25CS..Hα-helixtrans-64.7-50177.100000111.3A41 F44 Y67 I68 A73 T74 V75A41-A71 HydrophobicContact CB-CB 4.07Å; F44-A71 HydrophobicContact CD2-CB 3.74Å; F44-A71 HydrophobicContact CE2-CB 4.14Å; Y67-A71 VanDerWaalsContact O-CB 3.28Å; Y67-A71 WeakPolarHBondContact O-CB 3.42Å; Y67-A71 PolarHBondContact O-N 2.98Å; I68-A71 PolarHBondContact O-N 2.93Å; A71-A73 VanDerWaalsContact C-N 3.35Å; A71-A73 PolarHBondContact O-N 3.2Å; A71-T74 PolarHBondContact O-N 3.2Å; A71-V75 WeakPolarHBondContact O-CG2 3.45Å; A71-V75 PolarHBondContact O-N 3.49Å
72Y98.3Very high96.9Very high118 Ų11848.4 Ų48.446%0.46325%0.246SC..Hα-helixtrans-65.1-37.3176.1-82.7-83.1000112.5T45 I68 T74 V75 Y76T45-Y72 VanDerWaalsContact OG1-CE2 3.3Å; T45-Y72 WeakPolarHBondContact OG1-CE2 3.34Å; T45-Y72 PolarHBondContact OG1-OH 3.16Å; I68-Y72 HydrophobicContact CG2-CD2 3.71Å; I68-Y72 HydrophobicContact CG2-CE2 3.88Å; I68-Y72 WeakPolarHBondContact O-CD2 3.38Å; I68-Y72 PolarHBondContact O-N 3.25Å; Y72-T74 VanDerWaalsContact C-N 3.33Å; Y72-T74 PolarHBondContact O-N 3.48Å; Y72-V75 PolarHBondContact O-N 3.2Å; Y72-Y76 WeakPolarHBondContact O-CB 3.27Å; Y72-Y76 PolarHBondContact O-N 2.87Å
73A98.2Very high97Very high38 Ų3852 Ų5231%0.31426%0.257SS..Hα-helixtrans-60.3-44.317300000111.3L20 G69 C70 A71 Y76 L77L20-A73 HydrophobicContact CD1-CB 3.95Å; G69-A73 WeakPolarHBondContact O-CB 3.41Å; G69-A73 PolarHBondContact O-N 3.43Å; C70-A73 PolarHBondContact O-N 3.4Å; A71-A73 VanDerWaalsContact C-N 3.35Å; A71-A73 PolarHBondContact O-N 3.2Å; A73-Y76 WeakPolarHBondContact O-CB 3.33Å; A73-Y76 PolarHBondContact O-N 3.1Å; A73-L77 VanDerWaalsContact O-CG 3.3Å; A73-L77 WeakPolarHBondContact O-CG 3.42Å; A73-L77 PolarHBondContact O-N 3.5Å
74T97.7Very high97.2Very high2 Ų256.2 Ų56.21%0.01230%0.295CS..Hα-helixtrans-62-46.3177.4-56.70000111.2L19 L20 I23 Q37 C70 A71 Y72 Y76 L77 I78L19-T74 HydrophobicContact CD2-CG2 4.03Å; L19-T74 HydrophobicContact CG-CG2 4.33Å; L20-T74 WeakPolarHBondContact CD1-OG1 3.46Å; I23-T74 HydrophobicContact CD1-CG2 3.94Å; Q37-T74 HydrophobicContact CB-CG2 4.38Å; Q37-T74 HydrophobicContact CG-CG2 3.91Å; C70-T74 WeakPolarHBondContact O-CB 3.4Å; C70-T74 PolarHBondContact O-N 3.17Å; C70-T74 PolarHBondContact O-OG1 2.99Å; A71-T74 PolarHBondContact O-N 3.2Å; Y72-T74 VanDerWaalsContact C-N 3.33Å; Y72-T74 PolarHBondContact O-N 3.48Å; T74-Y76 VanDerWaalsContact C-N 3.34Å; T74-Y76 PolarHBondContact O-N 2.98Å; T74-L77 PolarHBondContact O-N 3.44Å; T74-I78 HydrophobicContact CG2-CD1 4.01Å; T74-I78 WeakPolarHBondContact O-CG1 3.4Å; T74-I78 PolarHBondContact O-N 3.35Å
75V98.4Very high97.1Very high27 Ų2758 Ų5816%0.16431%0.307CS..Hα-helixtrans-58.7-45.1175.3172.30000111.1Q37 V38 A41 A71 Y72 L77 I78 Y79Q37-V75 HydrophobicContact CB-CG2 4.04Å; V38-V75 HydrophobicContact CG2-CG1 4.08Å; V38-V75 HydrophobicContact CG2-CG2 4.18Å; A41-V75 HydrophobicContact CB-CG2 4.13Å; A71-V75 WeakPolarHBondContact O-CG2 3.45Å; A71-V75 PolarHBondContact O-N 3.49Å; Y72-V75 PolarHBondContact O-N 3.2Å; V75-L77 PolarHBondContact O-N 2.99Å; V75-I78 PolarHBondContact O-N 2.62Å; V75-Y79 HydrophobicContact CG1-CD2 3.95Å; V75-Y79 PolarHBondContact O-N 3.11Å
76Y98.4Very high97.1Very high119 Ų11955.4 Ų55.447%0.46729%0.291SS..Hα-helixtrans-60.7-42.7175.7168.4-97.9000112.3Y72 A73 T74 I78 M80 K81Y72-Y76 WeakPolarHBondContact O-CB 3.27Å; Y72-Y76 PolarHBondContact O-N 2.87Å; A73-Y76 WeakPolarHBondContact O-CB 3.33Å; A73-Y76 PolarHBondContact O-N 3.1Å; T74-Y76 VanDerWaalsContact C-N 3.34Å; T74-Y76 PolarHBondContact O-N 2.98Å; Y76-I78 VanDerWaalsContact C-N 3.31Å; Y76-I78 PolarHBondContact O-N 3Å; Y76-M80 HydrophobicContact CD2-CB 3.82Å; Y76-M80 HydrophobicContact CD2-CG 3.97Å; Y76-M80 HydrophobicContact CD2-SD 3.71Å; Y76-M80 HydrophobicContact CE2-CB 3.77Å; Y76-M80 HydrophobicContact CE2-CG 4.25Å; Y76-M80 HydrophobicContact CE2-SD 3.83Å; Y76-M80 WeakPolarHBondContact O-CA 3.41Å; Y76-M80 WeakPolarHBondContact O-CB 3.5Å; Y76-M80 PolarHBondContact O-N 3.17Å; Y76-K81 HydrophobicContact CE1-CB 3.97Å; Y76-K81 HydrophobicContact CE1-CD 4.19Å; Y76-K81 PolarHBondContact O-N 2.83Å; Y76-K81 VanDerWaalsContact O-N 3.07Å
77L98Very high96.9Very high7 Ų754.6 Ų54.64%0.03729%0.287CS..Iπ-helixtrans-62.3-39.5177.3-69.5-173.1000111.8L20 I23 W24 A73 T74 V75 K81 F82L20-L77 HydrophobicContact CD1-CD1 3.69Å; I23-L77 HydrophobicContact CB-CD1 4.25Å; I23-L77 HydrophobicContact CG2-CB 3.82Å; I23-L77 HydrophobicContact CG2-CD1 3.9Å; I23-L77 HydrophobicContact CG2-CG 4.48Å; W24-L77 HydrophobicContact CE3-CD1 4.33Å; W24-L77 HydrophobicContact CE3-CD2 3.99Å; W24-L77 HydrophobicContact CZ3-CD2 4.17Å; A73-L77 VanDerWaalsContact O-CG 3.3Å; A73-L77 WeakPolarHBondContact O-CG 3.42Å; A73-L77 PolarHBondContact O-N 3.5Å; T74-L77 PolarHBondContact O-N 3.44Å; V75-L77 PolarHBondContact O-N 2.99Å; L77-K81 HydrophobicContact CD2-CB 4Å; L77-K81 HydrophobicContact CD2-CD 3.7Å; L77-K81 HydrophobicContact CD2-CG 4.31Å; L77-F82 HydrophobicContact CB-CD2 4.13Å; L77-F82 HydrophobicContact CD1-CE2 4.48Å; L77-F82 HydrophobicContact CD2-CD2 4.2Å; L77-F82 HydrophobicContact CD2-CE2 3.83Å; L77-F82 HydrophobicContact CG-CE2 4.49Å; L77-F82 WeakPolarHBondContact O-CA 3.36Å; L77-F82 WeakPolarHBondContact O-CB 3.35Å; L77-F82 PolarHBondContact O-N 2.83Å
78I97.5Very high96.6Very high0 Ų055.9 Ų55.90%030%0.303CS..Iπ-helixtrans-73.7-51.5-178.7-65169.4000111.6I23 C29 I32 Q37 T74 V75 Y76 K83 Y86I23-I78 HydrophobicContact CD1-CD1 4.32Å; I23-I78 HydrophobicContact CD1-CG1 4.14Å; C29-I78 HydrophobicContact CB-CB 4.49Å; C29-I78 HydrophobicContact CB-CG1 3.86Å; I32-I78 HydrophobicContact CG2-CD1 3.91Å; Q37-I78 HydrophobicContact CB-CD1 4.11Å; Q37-I78 HydrophobicContact CG-CD1 3.61Å; T74-I78 HydrophobicContact CG2-CD1 4.01Å; T74-I78 WeakPolarHBondContact O-CG1 3.4Å; T74-I78 PolarHBondContact O-N 3.35Å; V75-I78 PolarHBondContact O-N 2.62Å; Y76-I78 VanDerWaalsContact C-N 3.31Å; Y76-I78 PolarHBondContact O-N 3Å; I78-K83 VanDerWaalsContact O-CA 3.26Å; I78-K83 WeakPolarHBondContact O-CA 3.36Å; I78-K83 PolarHBondContact O-N 3.37Å; I78-Y86 HydrophobicContact CG2-CD2 3.63Å; I78-Y86 HydrophobicContact CG2-CE2 4.11Å; I78-Y86 HydrophobicContact CG2-CG 4.01Å
79Y97.8Very high96.3Very high75 Ų7560.6 Ų60.629%0.29433%0.328SS..Iπ-helixtrans-91.8-15.4-169.6-73-73000114.8G34 K35 V38 V75 K83 Y86G34-Y79 VanDerWaalsContact CA-OH 3.31Å; G34-Y79 WeakPolarHBondContact CA-OH 3.41Å; K35-Y79 PolarHBondContact N-OH 3.04Å; V38-Y79 HydrophobicContact CG2-CD2 4.41Å; V38-Y79 HydrophobicContact CG2-CE2 3.68Å; V75-Y79 HydrophobicContact CG1-CD2 3.95Å; V75-Y79 PolarHBondContact O-N 3.11Å; Y79-K83 WeakPolarHBondContact O-CD 3.37Å; Y79-Y86 HydrophobicContact CD1-CE1 4.38Å; Y79-Y86 HydrophobicContact CE1-CD1 4.29Å; Y79-Y86 AromaticContact CE1-CE1 3.69Å; Y79-Y86 HydrophobicContact CE1-CE1 3.69Å; Y79-Y86 AromaticContact CE1-CZ 3.91Å; Y79-Y86 PolarHBondContact OH-OH 3.41Å
80M97.3Very high95.9Very high136 Ų13662 Ų6267%0.6732%0.323SS*.Iπ-helixtrans-119.6-65.3178.6-54.3-160.885.300112.1Y76Y76-M80 HydrophobicContact CD2-CB 3.82Å; Y76-M80 HydrophobicContact CD2-CG 3.97Å; Y76-M80 HydrophobicContact CD2-SD 3.71Å; Y76-M80 HydrophobicContact CE2-CB 3.77Å; Y76-M80 HydrophobicContact CE2-CG 4.25Å; Y76-M80 HydrophobicContact CE2-SD 3.83Å; Y76-M80 WeakPolarHBondContact O-CA 3.41Å; Y76-M80 WeakPolarHBondContact O-CB 3.5Å; Y76-M80 PolarHBondContact O-N 3.17Å
81K97Very high95.8Very high94 Ų9461 Ų6141%0.40932%0.317SS..Iπ-helixtrans-70.2-43.7-167.1-170.8163.5-174157.20114W24 Y76 L77W24-K81 HydrophobicContact CZ3-CD 4.16Å; Y76-K81 HydrophobicContact CE1-CB 3.97Å; Y76-K81 HydrophobicContact CE1-CD 4.19Å; Y76-K81 PolarHBondContact O-N 2.83Å; Y76-K81 VanDerWaalsContact O-N 3.07Å; L77-K81 HydrophobicContact CD2-CB 4Å; L77-K81 HydrophobicContact CD2-CD 3.7Å; L77-K81 HydrophobicContact CD2-CG 4.31Å
82F97.1Very high95.7Very high24 Ų2463.5 Ų63.511%0.10533%0.331CS..THydrogen-bonded Turntrans-116.426.9-179.2-55.1-59.5000112.2I23 R27 C29 L77 A84 T85I23-F82 HydrophobicContact CG2-CD2 3.6Å; I23-F82 HydrophobicContact CG2-CE2 4.06Å; R27-F82 HydrophobicContact CB-CD1 4.29Å; R27-F82 HydrophobicContact CB-CE1 3.76Å; R27-F82 HydrophobicContact CB-CZ 4.21Å; R27-F82 VanDerWaalsContact CD-CZ 3.48Å; R27-F82 HydrophobicContact CG-CE1 4.31Å; R27-F82 HydrophobicContact CG-CZ 4.48Å; R27-F82 VanDerWaalsContact O-CD1 3.24Å; R27-F82 WeakPolarHBondContact O-CD1 3.16Å; C29-F82 PolarHBondContact SG-O 3.13Å; C29-F82 VanDerWaalsContact SG-O 3.37Å; L77-F82 HydrophobicContact CB-CD2 4.13Å; L77-F82 HydrophobicContact CD1-CE2 4.48Å; L77-F82 HydrophobicContact CD2-CD2 4.2Å; L77-F82 HydrophobicContact CD2-CE2 3.83Å; L77-F82 HydrophobicContact CG-CE2 4.49Å; L77-F82 WeakPolarHBondContact O-CA 3.36Å; L77-F82 WeakPolarHBondContact O-CB 3.35Å; L77-F82 PolarHBondContact O-N 2.83Å; F82-A84 PolarHBondContact O-N 3.03Å; F82-T85 PolarHBondContact O-N 3.37Å; F82-T85 PolarHBondContact O-OG1 2.93Å
83K95.7Very high95.6Very high137 Ų13759.8 Ų59.860%0.59632%0.318SS*.G310 helixtrans-50.6-34.1-179.8-172.5-174.1-179.7178.80113.4I78 Y79 T85 Y86I78-K83 VanDerWaalsContact O-CA 3.26Å; I78-K83 WeakPolarHBondContact O-CA 3.36Å; I78-K83 PolarHBondContact O-N 3.37Å; Y79-K83 WeakPolarHBondContact O-CD 3.37Å; K83-T85 PolarHBondContact O-N 3.35Å; K83-Y86 WeakPolarHBondContact O-CB 3.04Å; K83-Y86 PolarHBondContact O-N 3.35Å; K83-Y86 VanDerWaalsContact O-N 3.1Å
84A96.1Very high95.5Very high107 Ų10765 Ų6588%0.88433%0.329SS*.G310 helixtrans-60.8-24.6178.900000113.8F82F82-A84 PolarHBondContact O-N 3.03Å
85T94.6Very high95.4Very high49 Ų4966.4 Ų66.430%0.30134%0.338SS..G310 helixtrans-99.1-1.8178.9630000113.3S28 C29 F82 K83S28-T85 WeakPolarHBondContact CA-OG1 3.48Å; C29-T85 PolarHBondContact N-OG1 3.27Å; C29-T85 PolarHBondContact SG-OG1 3.31Å; F82-T85 PolarHBondContact O-N 3.37Å; F82-T85 PolarHBondContact O-OG1 2.93Å; K83-T85 PolarHBondContact O-N 3.35Å
86Y95.5Very high95.3Very high45 Ų4569.8 Ų69.818%0.17635%0.352CS..  trans-77.5123.7179.4172.1-119.6000110.4I78 Y79 K83 G88 D91I78-Y86 HydrophobicContact CG2-CD2 3.63Å; I78-Y86 HydrophobicContact CG2-CE2 4.11Å; I78-Y86 HydrophobicContact CG2-CG 4.01Å; Y79-Y86 HydrophobicContact CD1-CE1 4.38Å; Y79-Y86 HydrophobicContact CE1-CD1 4.29Å; Y79-Y86 AromaticContact CE1-CE1 3.69Å; Y79-Y86 HydrophobicContact CE1-CE1 3.69Å; Y79-Y86 AromaticContact CE1-CZ 3.91Å; Y79-Y86 PolarHBondContact OH-OH 3.41Å; K83-Y86 WeakPolarHBondContact O-CB 3.04Å; K83-Y86 PolarHBondContact O-N 3.35Å; K83-Y86 VanDerWaalsContact O-N 3.1Å; Y86-G88 PolarHBondContact O-N 3.06Å; Y86-D91 HydrophobicContact CE2-CB 4.13Å; Y86-D91 WeakPolarHBondContact CE2-OD2 3.45Å; Y86-D91 PolarHBondContact OH-OD2 2.96Å
87D91Very high95.2Very high47 Ų4770.2 Ų70.225%0.25136%0.356SS..  trans-92.477.5-177.7-169.3-11.4000111.7N89 H90 D91 M137D87-N89 PolarHBondContact O-N 3.21Å; D87-N89 PolarHBondContact OD1-N 3.34Å; D87-H90 PolarHBondContact O-N 2.87Å; D87-H90 IonicContact OD1-CG 3.51Å; D87-H90 PolarHBondContact OD1-N 3.04Å; D87-H90 IonicContact OD1-ND1 2.7Å; D87-H90 PolarHBondContact OD1-ND1 3.24Å; D87-H90 IonicContact OD2-CE1 3.59Å; D87-H90 IonicContact OD2-CG 3.95Å; D87-H90 IonicContact OD2-ND1 3.75Å; D87-H90 PolarHBondContact OD2-ND1 3.25Å; D87-D91 PolarHBondContact O-N 3.46Å; D87-D91 VanDerWaalsContact O-N 3.1Å; D87-M137 HydrophobicContact CB-CE 3.81Å
88G90.6Very high95.2Very high35 Ų3570.7 Ų70.736%0.36136%0.359SS..THydrogen-bonded Turntrans-65.2-20.8177.500000114.2Y86Y86-G88 PolarHBondContact O-N 3.06Å
89N90.4Very high95.1Very high142 Ų14272.8 Ų72.876%0.75937%0.372SS*.THydrogen-bonded Turntrans-73.8-31179.6-68.7-27.7000111.9D87 T92D87-N89 PolarHBondContact O-N 3.21Å; D87-N89 PolarHBondContact OD1-N 3.34Å; N89-T92 WeakPolarHBondContact O-CG2 3.41Å
90H90.3Very high95.1Very high73 Ų7374.4 Ų74.434%0.33839%0.389SS..THydrogen-bonded Turntrans-92.4-27.7174.7-64.993.4000112.6D87 T92 M137 T141D87-H90 PolarHBondContact O-N 2.87Å; D87-H90 IonicContact OD1-CG 3.51Å; D87-H90 PolarHBondContact OD1-N 3.04Å; D87-H90 IonicContact OD1-ND1 2.7Å; D87-H90 PolarHBondContact OD1-ND1 3.24Å; D87-H90 IonicContact OD2-CE1 3.59Å; D87-H90 IonicContact OD2-CG 3.95Å; D87-H90 IonicContact OD2-ND1 3.75Å; D87-H90 PolarHBondContact OD2-ND1 3.25Å; H90-T92 PolarHBondContact O-N 3.25Å; H90-T92 PolarHBondContact O-OG1 2.85Å; H90-M137 HydrophobicContact CB-CE 4.21Å; H90-M137 HydrophobicContact CB-CG 4.21Å; H90-T141 HydrophobicContact CB-CG2 3.85Å
91D94.4Very high95.1Very high2 Ų271.6 Ų71.61%0.01138%0.381CS..  trans-77.759.1175.1-164.315.5000112.8S33 G34 K35 Y86 D87 M137S33-D91 WeakPolarHBondContact CB-OD1 3.4Å; S33-D91 VanDerWaalsContact OG-CG 3.25Å; S33-D91 PolarHBondContact OG-OD1 3.21Å; S33-D91 PolarHBondContact OG-OD2 3.28Å; G34-D91 PolarHBondContact N-OD2 3.39Å; K35-D91 VanDerWaalsContact CE-O 3.27Å; K35-D91 WeakPolarHBondContact CE-O 3.28Å; K35-D91 PolarHBondContact N-OD2 3.12Å; K35-D91 VanDerWaalsContact N-OD2 3.14Å; K35-D91 PolarHBondContact NZ-O 3.23Å; Y86-D91 HydrophobicContact CE2-CB 4.13Å; Y86-D91 WeakPolarHBondContact CE2-OD2 3.45Å; Y86-D91 PolarHBondContact OH-OD2 2.96Å; D87-D91 PolarHBondContact O-N 3.46Å; D87-D91 VanDerWaalsContact O-N 3.1Å; D91-M137 HydrophobicContact CB-SD 4.26Å
92T95.6Very high95.1Very high56 Ų5667.8 Ų67.834%0.34437%0.366SS..  trans-97.13.6-169.244.10000114.7N89 H90 R94 K140N89-T92 WeakPolarHBondContact O-CG2 3.41Å; H90-T92 PolarHBondContact O-N 3.25Å; H90-T92 PolarHBondContact O-OG1 2.85Å; T92-R94 PolarHBondContact O-N 3.4Å; T92-K140 PolarHBondContact OG1-NZ 2.81Å
93F95.4Very high95.1Very high40 Ų4067.5 Ų67.518%0.17537%0.369CS..  trans-61.2133.8179.4-168-81.1000111.3K35 V95 L98 L132 P133 F136K35-F93 VanDerWaalsContact CD-O 3.24Å; K35-F93 WeakPolarHBondContact CD-O 3.24Å; K35-F93 WeakPolarHBondContact CE-O 3.28Å; K35-F93 PolarHBondContact NZ-O 2.79Å; F93-V95 HydrophobicContact CD1-CG1 4.39Å; F93-V95 PolarHBondContact O-N 2.9Å; F93-L98 HydrophobicContact CD1-CD1 4.37Å; F93-L98 HydrophobicContact CE1-CD1 3.52Å; F93-L98 HydrophobicContact CE1-CD2 4.23Å; F93-L98 HydrophobicContact CE1-CG 3.7Å; F93-L98 HydrophobicContact CZ-CD1 4.03Å; F93-L98 HydrophobicContact CZ-CD2 4.16Å; F93-L98 HydrophobicContact CZ-CG 4.14Å; F93-L132 HydrophobicContact CE2-CB 4.19Å; F93-L132 HydrophobicContact CZ-CB 4.13Å; F93-L132 HydrophobicContact CZ-CD1 4.46Å; F93-P133 HydrophobicContact CB-CB 3.93Å; F93-P133 HydrophobicContact CB-CG 4.26Å; F93-P133 HydrophobicContact CD1-CB 4.39Å; F93-P133 HydrophobicContact CD1-CG 3.79Å; F93-P133 HydrophobicContact CE1-CG 4.44Å; F93-P133 HydrophobicContact CG-CB 4.21Å; F93-P133 HydrophobicContact CG-CG 4.09Å; F93-F136 HydrophobicContact CB-CD1 4.02Å; F93-F136 HydrophobicContact CB-CG 4.47Å; F93-F136 HydrophobicContact CD2-CB 3.82Å; F93-F136 HydrophobicContact CD2-CD1 4.16Å; F93-F136 HydrophobicContact CD2-CD2 4.23Å; F93-F136 AromaticContact CD2-CG 3.82Å; F93-F136 HydrophobicContact CD2-CG 3.82Å
94R96.6Very high95.2Very high147 Ų14762.6 Ų62.656%0.55536%0.358SS*.  trans-88.597.9-179.5-75-17463.7-170.33.8110.3T92 E96 F97T92-R94 PolarHBondContact O-N 3.4Å; R94-E96 WeakPolarHBondContact CA-OE2 3.21Å; R94-E96 VanDerWaalsContact CB-OE2 3.32Å; R94-E96 WeakPolarHBondContact CB-OE2 3.31Å; R94-E96 IonicContact NE-OE2 3.13Å; R94-E96 PolarHBondContact O-N 3.41Å; R94-F97 HydrophobicContact CB-CD2 3.51Å; R94-F97 HydrophobicContact CB-CE2 3.7Å; R94-F97 HydrophobicContact CG-CE2 4.33Å; R94-F97 PolarHBondContact O-N 3.34Å
95V96.7Very high95.3Very high33 Ų3361.2 Ų61.220%0.234%0.335CS..THydrogen-bonded Turntrans-68.1-17.6-173.6-65.40000113.4K35 L39 F93 F97 L98 V99 P133K35-V95 HydrophobicContact CB-CG1 3.86Å; K35-V95 HydrophobicContact CD-CG1 4.06Å; K35-V95 HydrophobicContact CG-CG1 4.12Å; L39-V95 HydrophobicContact CD1-CG1 4.17Å; L39-V95 HydrophobicContact CD2-CB 4.46Å; L39-V95 HydrophobicContact CG-CG1 4.49Å; F93-V95 HydrophobicContact CD1-CG1 4.39Å; F93-V95 PolarHBondContact O-N 2.9Å; V95-F97 PolarHBondContact O-N 2.93Å; V95-L98 WeakPolarHBondContact O-CB 3.4Å; V95-L98 PolarHBondContact O-N 3.07Å; V95-V99 PolarHBondContact O-N 2.96Å; V95-P133 HydrophobicContact CG1-CG 4.15Å
96E96.3Very high95.4Very high98 Ų9858.9 Ų58.946%0.45832%0.321SS..Hα-helixtrans-60.5-35.1177-52.680.2-175.300110.9R94 L98 V100R94-E96 WeakPolarHBondContact CA-OE2 3.21Å; R94-E96 VanDerWaalsContact CB-OE2 3.32Å; R94-E96 WeakPolarHBondContact CB-OE2 3.31Å; R94-E96 IonicContact NE-OE2 3.13Å; R94-E96 PolarHBondContact O-N 3.41Å; E96-L98 PolarHBondContact O-N 2.92Å; E96-V100 WeakPolarHBondContact O-CB 3.29Å; E96-V100 WeakPolarHBondContact O-CG2 3.39Å; E96-V100 PolarHBondContact O-N 3.44Å
97F95.9Very high95.4Very high127 Ų12762.5 Ų62.556%0.55734%0.338SS*.Hα-helixtrans-70.3-8.8175.2-63.1-57.9000114R94 V95 P101R94-F97 HydrophobicContact CB-CD2 3.51Å; R94-F97 HydrophobicContact CB-CE2 3.7Å; R94-F97 HydrophobicContact CG-CE2 4.33Å; R94-F97 PolarHBondContact O-N 3.34Å; V95-F97 PolarHBondContact O-N 2.93Å; F97-P101 WeakPolarHBondContact O-CD 3.43Å; F97-P101 VanDerWaalsContact O-CG 3.3Å; F97-P101 WeakPolarHBondContact O-CG 3.47Å
98L96.5Very high95.7Very high17 Ų1767.3 Ų67.39%0.08936%0.362CS..Hα-helixtrans-100.1-54.2169.9-57179.6000109.9L39 F93 V95 E96 V100 P101 V102 V129 L132L39-L98 HydrophobicContact CD1-CD1 3.99Å; F93-L98 HydrophobicContact CD1-CD1 4.37Å; F93-L98 HydrophobicContact CE1-CD1 3.52Å; F93-L98 HydrophobicContact CE1-CD2 4.23Å; F93-L98 HydrophobicContact CE1-CG 3.7Å; F93-L98 HydrophobicContact CZ-CD1 4.03Å; F93-L98 HydrophobicContact CZ-CD2 4.16Å; F93-L98 HydrophobicContact CZ-CG 4.14Å; V95-L98 WeakPolarHBondContact O-CB 3.4Å; V95-L98 PolarHBondContact O-N 3.07Å; E96-L98 PolarHBondContact O-N 2.92Å; L98-V100 PolarHBondContact O-N 3.46Å; L98-P101 WeakPolarHBondContact O-CD 3.37Å; L98-V102 WeakPolarHBondContact O-CB 3.17Å; L98-V102 WeakPolarHBondContact O-CG2 3.37Å; L98-V102 PolarHBondContact O-N 3.23Å; L98-V129 HydrophobicContact CB-CG2 4.18Å; L98-V129 HydrophobicContact CD1-CB 4.42Å; L98-V129 HydrophobicContact CD1-CG2 4.29Å; L98-V129 HydrophobicContact CD2-CB 4.14Å; L98-V129 HydrophobicContact CD2-CG2 4.12Å; L98-V129 HydrophobicContact CG-CG2 4.41Å; L98-L132 HydrophobicContact CD1-CB 4.3Å; L98-L132 HydrophobicContact CD1-CD1 4.33Å; L98-L132 HydrophobicContact CD2-CD1 3.79Å
99V97.2Very high96Very high45 Ų4569 Ų6927%0.27337%0.366SS..Hα-helixtrans-64-42-171.7178.40000111.9L39 V95 G103 F122 L126L39-V99 HydrophobicContact CD2-CG2 3.78Å; V95-V99 PolarHBondContact O-N 2.96Å; V99-G103 PolarHBondContact O-N 3.07Å; V99-F122 HydrophobicContact CG1-CE2 4.42Å; V99-F122 HydrophobicContact CG1-CZ 4.3Å; V99-L126 HydrophobicContact CG2-CD1 4.26Å
100V97.3Very high96.2Very high108 Ų10863.9 Ų63.966%0.65534%0.338SS*.Hα-helixtrans-69.2-51.3-177.8176.20000111.6E96 L98 V102 G103 G104E96-V100 WeakPolarHBondContact O-CB 3.29Å; E96-V100 WeakPolarHBondContact O-CG2 3.39Å; E96-V100 PolarHBondContact O-N 3.44Å; L98-V100 PolarHBondContact O-N 3.46Å; V100-V102 PolarHBondContact O-N 3.05Å; V100-G103 PolarHBondContact O-N 3.28Å; V100-G104 PolarHBondContact O-N 3.16Å
101P97.4Very high96.3Very high77 Ų7765.3 Ų65.350%0.535%0.345SS..Hα-helixtrans-64.5-38.7177.2-25.638.2000113.1F97 L98 G104 L105F97-P101 WeakPolarHBondContact O-CD 3.43Å; F97-P101 VanDerWaalsContact O-CG 3.3Å; F97-P101 WeakPolarHBondContact O-CG 3.47Å; L98-P101 WeakPolarHBondContact O-CD 3.37Å; P101-G104 PolarHBondContact O-N 3.23Å; P101-L105 VanDerWaalsContact O-CB 3.31Å; P101-L105 WeakPolarHBondContact O-CB 3.37Å; P101-L105 PolarHBondContact O-N 2.84Å
102V97.2Very high96.3Very high15 Ų1569.9 Ų69.99%0.09137%0.369CS..Hα-helixtrans-65.1-40.8176.4166.80000111.4L98 V100 L105 A106 F122 L126 V129L98-V102 WeakPolarHBondContact O-CB 3.17Å; L98-V102 WeakPolarHBondContact O-CG2 3.37Å; L98-V102 PolarHBondContact O-N 3.23Å; V100-V102 PolarHBondContact O-N 3.05Å; V102-L105 PolarHBondContact O-N 2.92Å; V102-A106 WeakPolarHBondContact O-CB 3.45Å; V102-A106 PolarHBondContact O-N 3.23Å; V102-F122 HydrophobicContact CG1-CD2 3.72Å; V102-F122 HydrophobicContact CG1-CE2 3.88Å; V102-L126 HydrophobicContact CG1-CB 3.95Å; V102-L126 HydrophobicContact CG1-CD1 4.48Å; V102-V129 HydrophobicContact CG2-CG2 4.1Å
103G97.1Very high96.3Very high17 Ų1774 Ų7418%0.17538%0.383CS..Hα-helixtrans-59.1-52172.900000111.6V99 V100 L105 A106 F107V99-G103 PolarHBondContact O-N 3.07Å; V100-G103 PolarHBondContact O-N 3.28Å; G103-L105 VanDerWaalsContact C-N 3.34Å; G103-L105 PolarHBondContact O-N 2.63Å; G103-A106 PolarHBondContact O-N 3.36Å; G103-F107 WeakPolarHBondContact O-CD2 3.2Å; G103-F107 PolarHBondContact O-N 2.88Å; G103-F107 VanDerWaalsContact O-N 3.12Å
104G97.4Very high96.3Very high35 Ų3573.8 Ų73.836%0.36139%0.386SS..Hα-helixtrans-57.2-45.617600000112.6V100 P101 A106 F107 L108V100-G104 PolarHBondContact O-N 3.16Å; P101-G104 PolarHBondContact O-N 3.23Å; G104-A106 PolarHBondContact O-N 3.5Å; G104-F107 PolarHBondContact O-N 3.44Å; G104-L108 VanDerWaalsContact O-CG 3.29Å; G104-L108 WeakPolarHBondContact O-CG 3.46Å; G104-L108 PolarHBondContact O-N 2.99Å
105L97Very high96.2Very high78 Ų7871.7 Ų71.741%0.40839%0.392SS..Hα-helixtrans-63.7-40.2178.8-173.664.7000112.3P101 V102 G103 F107 L108 V109 Y125P101-L105 VanDerWaalsContact O-CB 3.31Å; P101-L105 WeakPolarHBondContact O-CB 3.37Å; P101-L105 PolarHBondContact O-N 2.84Å; V102-L105 PolarHBondContact O-N 2.92Å; G103-L105 VanDerWaalsContact C-N 3.34Å; G103-L105 PolarHBondContact O-N 2.63Å; L105-F107 VanDerWaalsContact C-N 3.3Å; L105-F107 PolarHBondContact O-N 3.48Å; L105-L108 PolarHBondContact O-N 3.37Å; L105-V109 HydrophobicContact CD1-CB 4.19Å; L105-V109 HydrophobicContact CD1-CG2 3.83Å; L105-V109 PolarHBondContact O-N 3.43Å; L105-Y125 HydrophobicContact CB-CD2 4.25Å; L105-Y125 HydrophobicContact CB-CE2 4.29Å; L105-Y125 HydrophobicContact CD2-CD1 4.41Å; L105-Y125 HydrophobicContact CD2-CD2 3.92Å; L105-Y125 HydrophobicContact CD2-CE1 4.37Å; L105-Y125 HydrophobicContact CD2-CE2 3.89Å; L105-Y125 HydrophobicContact CD2-CG 4.21Å; L105-Y125 HydrophobicContact CG-CD2 3.97Å; L105-Y125 HydrophobicContact CG-CE2 3.65Å
106A96.9Very high96.1Very high0 Ų074.2 Ų74.20%040%0.404CS..Hα-helixtrans-64.5-34.3176.700000112.8V102 G103 G104 N110 T121 F122 Y125V102-A106 WeakPolarHBondContact O-CB 3.45Å; V102-A106 PolarHBondContact O-N 3.23Å; G103-A106 PolarHBondContact O-N 3.36Å; G104-A106 PolarHBondContact O-N 3.5Å; A106-N110 PolarHBondContact O-ND2 3.02Å; A106-T121 HydrophobicContact CB-CG2 4.16Å; A106-F122 HydrophobicContact CB-CB 3.71Å; A106-Y125 HydrophobicContact CB-CD2 4.14Å; A106-Y125 HydrophobicContact CB-CE2 4.41Å
107F96Very high96Very high121 Ų12172 Ų7253%0.53139%0.393SS..Hα-helixtrans-71.3-35.2173.5-92.1-89.9000112.9G103 G104 L105 N110 F113 I118G103-F107 WeakPolarHBondContact O-CD2 3.2Å; G103-F107 PolarHBondContact O-N 2.88Å; G103-F107 VanDerWaalsContact O-N 3.12Å; G104-F107 PolarHBondContact O-N 3.44Å; L105-F107 VanDerWaalsContact C-N 3.3Å; L105-F107 PolarHBondContact O-N 3.48Å; F107-N110 PolarHBondContact O-ND2 2.92Å; F107-F113 HydrophobicContact CD1-CE2 4.18Å; F107-F113 HydrophobicContact CD1-CZ 4.15Å; F107-F113 WeakPolarHBondContact O-CE2 3.13Å; F107-I118 HydrophobicContact CD1-CD1 4.17Å; F107-I118 HydrophobicContact CD1-CG2 4.44Å; F107-I118 HydrophobicContact CD2-CG2 3.94Å; F107-I118 HydrophobicContact CE1-CD1 4.13Å; F107-I118 HydrophobicContact CE1-CG2 4.43Å; F107-I118 HydrophobicContact CE2-CG2 3.93Å; F107-I118 HydrophobicContact CG-CG2 4.22Å; F107-I118 HydrophobicContact CZ-CG2 4.18Å
108L96.6Very high96.1Very high147 Ų14766.5 Ų66.577%0.7737%0.37SS*.Hα-helixtrans-86.3-33.7-176.6-65.7173.3000113.6G104 L105G104-L108 VanDerWaalsContact O-CG 3.29Å; G104-L108 WeakPolarHBondContact O-CG 3.46Å; G104-L108 PolarHBondContact O-N 2.99Å; L105-L108 PolarHBondContact O-N 3.37Å
109V96.8Very high96.1Very high71 Ų7168.6 Ų68.643%0.4338%0.381SS..SBendtrans-130.990.3-172.6-173.70000109.3L105 T121 Y125L105-V109 HydrophobicContact CD1-CB 4.19Å; L105-V109 HydrophobicContact CD1-CG2 3.83Å; L105-V109 PolarHBondContact O-N 3.43Å; V109-T121 WeakPolarHBondContact O-CG2 3.33Å; V109-Y125 PolarHBondContact O-OH 3.25Å
110N95.9Very high96.1Very high35 Ų3569.7 Ų69.719%0.18738%0.38CS..  trans-136.9168.3177.249.773.5000109.9A106 F107 D112 T121A106-N110 PolarHBondContact O-ND2 3.02Å; F107-N110 PolarHBondContact O-ND2 2.92Å; N110-D112 PolarHBondContact OD1-O 3.47Å; N110-D112 VanDerWaalsContact OD1-O 3.08Å; N110-T121 HydrophobicContact CB-CG2 4.26Å
111H92.4Very high96.1Very high103 Ų10364.6 Ų64.648%0.47735%0.349SS..SBendtrans-77.4-35.1176.2-66-56.3000112.7E117 W120 D177H111-E117 HydrophobicContact CB-CG 4.35Å; H111-E117 IonicContact CD2-OE1 2.78Å; H111-E117 PolarHBondContact CD2-OE1 3.06Å; H111-E117 IonicContact CG-OE1 3.95Å; H111-W120 AromaticContact CD2-CZ3 3.91Å; H111-D177 IonicContact CE1-OD1 3.73Å; H111-D177 PolarHBondContact CE1-OD1 3.14Å; H111-D177 IonicContact NE2-OD1 2.69Å; H111-D177 PolarHBondContact NE2-OD1 2.86Å; H111-D177 IonicContact NE2-OD2 2.65Å
112D94.4Very high96.2Very high97 Ų9762.1 Ų62.152%0.51933%0.33SS..SBendtrans-148.1144.1178.3-179.440.4000110.7N110 S114 E117N110-D112 PolarHBondContact OD1-O 3.47Å; N110-D112 VanDerWaalsContact OD1-O 3.08Å; D112-S114 PolarHBondContact O-N 3.2Å; D112-S114 WeakPolarHBondContact OD2-CB 3.41Å; D112-S114 PolarHBondContact OD2-OG 3.44Å; D112-E117 HydrophobicContact CB-CB 4.43Å; D112-E117 HydrophobicContact CB-CG 4.12Å; D112-E117 WeakPolarHBondContact O-CB 3.26Å; D112-E117 WeakPolarHBondContact O-CG 3.44Å
113F95.6Very high96.2Very high142 Ų14261.4 Ų61.462%0.62333%0.326SS*.SBendtrans-86.555.7-176.1-158-100000111.4F107 I118F107-F113 HydrophobicContact CD1-CE2 4.18Å; F107-F113 HydrophobicContact CD1-CZ 4.15Å; F107-F113 WeakPolarHBondContact O-CE2 3.13Å; F113-I118 HydrophobicContact CD2-CD1 3.93Å; F113-I118 HydrophobicContact CE2-CD1 3.91Å; F113-I118 HydrophobicContact CG-CD1 4.28Å; F113-I118 HydrophobicContact CZ-CD1 4.25Å
114S95.4Very high96.2Very high36 Ų3661.4 Ų61.425%0.25232%0.322SS..SBendtrans-115149.3175.366.60000111.1D112 L116 E117 I118D112-S114 PolarHBondContact O-N 3.2Å; D112-S114 WeakPolarHBondContact OD2-CB 3.41Å; D112-S114 PolarHBondContact OD2-OG 3.44Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.87Å; S114-E117 PolarHBondContact O-N 2.87Å; S114-E117 VanDerWaalsContact O-N 3.14Å; S114-E117 VanDerWaalsContact OG-CB 3.31Å; S114-E117 WeakPolarHBondContact OG-CB 3.42Å; S114-I118 WeakPolarHBondContact O-CG1 3.28Å; S114-I118 PolarHBondContact O-N 2.91Å
115P94.7Very high96.3Very high104 Ų10460.9 Ų60.968%0.67531%0.309SS*.Hα-helixtrans-56.4-39.8-175.2-28.135.4000114.3L119P115-L119 WeakPolarHBondContact O-CB 3.24Å; P115-L119 WeakPolarHBondContact O-CD1 3.41Å; P115-L119 VanDerWaalsContact O-CG 3.23Å; P115-L119 WeakPolarHBondContact O-CG 3.26Å; P115-L119 PolarHBondContact O-N 3.41Å; P115-L119 VanDerWaalsContact O-N 3.11Å
116L94.4Very high96.3Very high86 Ų8657.2 Ų57.245%0.4529%0.29SS..Hα-helixtrans-68.9-40.7178.8-71.6175.7000111.9L49 S114 L119 W120L49-L116 HydrophobicContact CB-CD2 4Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.87Å; L116-L119 PolarHBondContact O-N 3.12Å; L116-W120 WeakPolarHBondContact O-CB 3.37Å; L116-W120 PolarHBondContact O-N 3.28Å
117E94.7Very high96.4Very high50 Ų5057.2 Ų57.223%0.23429%0.29CS..Hα-helixtrans-71-37.7-179.6-169.362.2-159.200111.9H111 D112 S114 W120 T121H111-E117 HydrophobicContact CB-CG 4.35Å; H111-E117 IonicContact CD2-OE1 2.78Å; H111-E117 PolarHBondContact CD2-OE1 3.06Å; H111-E117 IonicContact CG-OE1 3.95Å; D112-E117 HydrophobicContact CB-CB 4.43Å; D112-E117 HydrophobicContact CB-CG 4.12Å; D112-E117 WeakPolarHBondContact O-CB 3.26Å; D112-E117 WeakPolarHBondContact O-CG 3.44Å; S114-E117 PolarHBondContact O-N 2.87Å; S114-E117 VanDerWaalsContact O-N 3.14Å; S114-E117 VanDerWaalsContact OG-CB 3.31Å; S114-E117 WeakPolarHBondContact OG-CB 3.42Å; E117-W120 PolarHBondContact O-N 2.82Å; E117-T121 VanDerWaalsContact O-CB 3.29Å; E117-T121 WeakPolarHBondContact O-CB 3.4Å; E117-T121 PolarHBondContact O-N 2.95Å; E117-T121 PolarHBondContact O-OG1 3.46Å
118I97.3Very high96.3Very high13 Ų1351.9 Ų51.97%0.06727%0.268CS..Hα-helixtrans-63-43.7173.3-66.6168.5000110.4F107 F113 S114 T121 F122F107-I118 HydrophobicContact CD1-CD1 4.17Å; F107-I118 HydrophobicContact CD1-CG2 4.44Å; F107-I118 HydrophobicContact CD2-CG2 3.94Å; F107-I118 HydrophobicContact CE1-CD1 4.13Å; F107-I118 HydrophobicContact CE1-CG2 4.43Å; F107-I118 HydrophobicContact CE2-CG2 3.93Å; F107-I118 HydrophobicContact CG-CG2 4.22Å; F107-I118 HydrophobicContact CZ-CG2 4.18Å; F113-I118 HydrophobicContact CD2-CD1 3.93Å; F113-I118 HydrophobicContact CE2-CD1 3.91Å; F113-I118 HydrophobicContact CG-CD1 4.28Å; F113-I118 HydrophobicContact CZ-CD1 4.25Å; S114-I118 WeakPolarHBondContact O-CG1 3.28Å; S114-I118 PolarHBondContact O-N 2.91Å; I118-T121 PolarHBondContact O-N 3.22Å; I118-F122 VanDerWaalsContact O-CB 3.26Å; I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 3.3Å
119L97.3Very high96.3Very high61 Ų6146 Ų4632%0.31924%0.237SC..Hα-helixtrans-68.6-36.7177.8-71.9170.1000112.4T46 L49 P115 L116 S123T46-L119 HydrophobicContact CG2-CD2 4.1Å; L49-L119 HydrophobicContact CD1-CB 4.35Å; L49-L119 HydrophobicContact CD1-CD1 3.42Å; L49-L119 VanDerWaalsContact CD1-CD1 3.42Å; L49-L119 HydrophobicContact CD1-CG 4.44Å; P115-L119 WeakPolarHBondContact O-CB 3.24Å; P115-L119 WeakPolarHBondContact O-CD1 3.41Å; P115-L119 VanDerWaalsContact O-CG 3.23Å; P115-L119 WeakPolarHBondContact O-CG 3.26Å; P115-L119 PolarHBondContact O-N 3.41Å; P115-L119 VanDerWaalsContact O-N 3.11Å; L116-L119 PolarHBondContact O-N 3.12Å; L119-S123 PolarHBondContact O-N 2.86Å
120W97.3Very high96.3Very high68 Ų6842.6 Ų42.626%0.25822%0.217SC..Hα-helixtrans-62.2-49.6171.8178.789.8000110.9H111 L116 E117 F122 S123 I124 D177 I179H111-W120 AromaticContact CD2-CZ3 3.91Å; L116-W120 WeakPolarHBondContact O-CB 3.37Å; L116-W120 PolarHBondContact O-N 3.28Å; E117-W120 PolarHBondContact O-N 2.82Å; W120-F122 PolarHBondContact O-N 3.49Å; W120-S123 WeakPolarHBondContact O-CB 3.07Å; W120-S123 PolarHBondContact O-N 3.38Å; W120-S123 VanDerWaalsContact O-N 3.08Å; W120-S123 PolarHBondContact O-OG 2.78Å; W120-I124 HydrophobicContact CD2-CG1 4.16Å; W120-I124 HydrophobicContact CE3-CG1 4.25Å; W120-I124 HydrophobicContact CH2-CD1 4.3Å; W120-I124 HydrophobicContact CH2-CG1 3.91Å; W120-I124 HydrophobicContact CZ2-CD1 3.87Å; W120-I124 HydrophobicContact CZ2-CG1 3.82Å; W120-I124 HydrophobicContact CZ3-CG1 4.13Å; W120-I124 WeakPolarHBondContact O-CG1 3.31Å; W120-I124 PolarHBondContact O-N 3.4Å; W120-I124 VanDerWaalsContact O-N 3.11Å; W120-D177 WeakPolarHBondContact CH2-OD2 3.5Å; W120-I179 HydrophobicContact CZ3-CG2 4.47Å
121T97.4Very high96.3Very high0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-60.2-44.8177.9-60.60000111.4A106 V109 N110 E117 I118 S123 I124 Y125 I179A106-T121 HydrophobicContact CB-CG2 4.16Å; V109-T121 WeakPolarHBondContact O-CG2 3.33Å; N110-T121 HydrophobicContact CB-CG2 4.26Å; E117-T121 VanDerWaalsContact O-CB 3.29Å; E117-T121 WeakPolarHBondContact O-CB 3.4Å; E117-T121 PolarHBondContact O-N 2.95Å; E117-T121 PolarHBondContact O-OG1 3.46Å; I118-T121 PolarHBondContact O-N 3.22Å; T121-S123 VanDerWaalsContact C-N 3.29Å; T121-S123 PolarHBondContact O-N 3.49Å; T121-I124 WeakPolarHBondContact O-CB 3.32Å; T121-I124 PolarHBondContact O-N 2.93Å; T121-I124 VanDerWaalsContact O-N 3.08Å; T121-Y125 HydrophobicContact CG2-CD2 3.93Å; T121-Y125 HydrophobicContact CG2-CE2 3.36Å; T121-Y125 PolarHBondContact O-N 3.45Å; T121-I179 HydrophobicContact CG2-CD1 4.28Å; T121-I179 HydrophobicContact CG2-CG2 4.21Å
122F98.3Very high96.3Very high25 Ų2538 Ų3811%0.1120%0.196CC..Hα-helixtrans-54.6-45.8173170.6-98.8000111.5L42 T46 V99 V102 A106 I118 W120 I124 Y125 L126L42-F122 HydrophobicContact CD2-CE1 4.07Å; L42-F122 HydrophobicContact CD2-CZ 4.02Å; L42-F122 HydrophobicContact CG-CE1 4.09Å; T46-F122 HydrophobicContact CG2-CD1 3.97Å; T46-F122 HydrophobicContact CG2-CE1 4.05Å; V99-F122 HydrophobicContact CG1-CE2 4.42Å; V99-F122 HydrophobicContact CG1-CZ 4.3Å; V102-F122 HydrophobicContact CG1-CD2 3.72Å; V102-F122 HydrophobicContact CG1-CE2 3.88Å; A106-F122 HydrophobicContact CB-CB 3.71Å; I118-F122 VanDerWaalsContact O-CB 3.26Å; I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 3.3Å; W120-F122 PolarHBondContact O-N 3.49Å; F122-I124 VanDerWaalsContact C-N 3.28Å; F122-I124 PolarHBondContact O-N 2.99Å; F122-Y125 PolarHBondContact O-N 3.29Å; F122-L126 HydrophobicContact CE1-CD2 3.73Å; F122-L126 HydrophobicContact CZ-CB 4.47Å; F122-L126 HydrophobicContact CZ-CD2 3.7Å; F122-L126 HydrophobicContact CZ-CG 4.49Å; F122-L126 WeakPolarHBondContact O-CB 3.4Å; F122-L126 PolarHBondContact O-N 3.41Å
123S98.2Very high96.3Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-62-36.3178.485.50000112.3T46 R47 L119 W120 T121 E127T46-S123 WeakPolarHBondContact OG1-CB 3.4Å; R47-S123 WeakPolarHBondContact CB-OG 2.74Å; R47-S123 PolarHBondContact NE-OG 3.41Å; R47-S123 VanDerWaalsContact NH2-C 3.34Å; R47-S123 PolarHBondContact NH2-O 3.07Å; L119-S123 PolarHBondContact O-N 2.86Å; W120-S123 WeakPolarHBondContact O-CB 3.07Å; W120-S123 PolarHBondContact O-N 3.38Å; W120-S123 VanDerWaalsContact O-N 3.08Å; W120-S123 PolarHBondContact O-OG 2.78Å; T121-S123 VanDerWaalsContact C-N 3.29Å; T121-S123 PolarHBondContact O-N 3.49Å; S123-E127 VanDerWaalsContact O-CB 3.28Å; S123-E127 WeakPolarHBondContact O-CB 2.78Å; S123-E127 PolarHBondContact O-N 3.24Å
124I97.4Very high96.2Very high18 Ų1826.6 Ų26.69%0.09214%0.141CC..Hα-helixtrans-67.6-50.4-179.9-66.5-70000110.3W120 T121 F122 S128 I179 A183W120-I124 HydrophobicContact CD2-CG1 4.16Å; W120-I124 HydrophobicContact CE3-CG1 4.25Å; W120-I124 HydrophobicContact CH2-CD1 4.3Å; W120-I124 HydrophobicContact CH2-CG1 3.91Å; W120-I124 HydrophobicContact CZ2-CD1 3.87Å; W120-I124 HydrophobicContact CZ2-CG1 3.82Å; W120-I124 HydrophobicContact CZ3-CG1 4.13Å; W120-I124 WeakPolarHBondContact O-CG1 3.31Å; W120-I124 PolarHBondContact O-N 3.4Å; W120-I124 VanDerWaalsContact O-N 3.11Å; T121-I124 WeakPolarHBondContact O-CB 3.32Å; T121-I124 PolarHBondContact O-N 2.93Å; T121-I124 VanDerWaalsContact O-N 3.08Å; F122-I124 VanDerWaalsContact C-N 3.28Å; F122-I124 PolarHBondContact O-N 2.99Å; I124-S128 PolarHBondContact O-N 3.32Å; I124-I179 HydrophobicContact CG2-CG2 4.08Å; I124-A183 HydrophobicContact CG2-CB 3.53Å
125Y97.9Very high95.9Very high24 Ų2426.6 Ų26.69%0.09414%0.138CC..Hα-helixtrans-63.9-43.2176.5-65.9-29.1000111.9L105 A106 V109 T121 F122 E127 S128 I179 A183L105-Y125 HydrophobicContact CB-CD2 4.25Å; L105-Y125 HydrophobicContact CB-CE2 4.29Å; L105-Y125 HydrophobicContact CD2-CD1 4.41Å; L105-Y125 HydrophobicContact CD2-CD2 3.92Å; L105-Y125 HydrophobicContact CD2-CE1 4.37Å; L105-Y125 HydrophobicContact CD2-CE2 3.89Å; L105-Y125 HydrophobicContact CD2-CG 4.21Å; L105-Y125 HydrophobicContact CG-CD2 3.97Å; L105-Y125 HydrophobicContact CG-CE2 3.65Å; A106-Y125 HydrophobicContact CB-CD2 4.14Å; A106-Y125 HydrophobicContact CB-CE2 4.41Å; V109-Y125 PolarHBondContact O-OH 3.25Å; T121-Y125 HydrophobicContact CG2-CD2 3.93Å; T121-Y125 HydrophobicContact CG2-CE2 3.36Å; T121-Y125 PolarHBondContact O-N 3.45Å; F122-Y125 PolarHBondContact O-N 3.29Å; Y125-E127 PolarHBondContact O-N 2.85Å; Y125-S128 WeakPolarHBondContact O-CB 3.42Å; Y125-S128 PolarHBondContact O-N 3.42Å; Y125-S128 PolarHBondContact O-OG 3.14Å; Y125-I179 HydrophobicContact CD1-CG2 4.5Å; Y125-I179 HydrophobicContact CE1-CG2 3.67Å; Y125-A183 HydrophobicContact CD1-CB 4.16Å
126L98.2Very high95.7Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-65.2-42.2-177.4-174.864.4000111.5L39 L42 V43 V99 V102 F122 S128 V129 A130L39-L126 HydrophobicContact CD2-CD1 4.22Å; L42-L126 HydrophobicContact CB-CD2 4.21Å; L42-L126 HydrophobicContact CD2-CD2 3.76Å; L42-L126 HydrophobicContact CG-CD2 3.96Å; V43-L126 HydrophobicContact CG2-CB 3.93Å; V43-L126 HydrophobicContact CG2-CD2 3.87Å; V43-L126 HydrophobicContact CG2-CG 3.86Å; V99-L126 HydrophobicContact CG2-CD1 4.26Å; V102-L126 HydrophobicContact CG1-CB 3.95Å; V102-L126 HydrophobicContact CG1-CD1 4.48Å; F122-L126 HydrophobicContact CE1-CD2 3.73Å; F122-L126 HydrophobicContact CZ-CB 4.47Å; F122-L126 HydrophobicContact CZ-CD2 3.7Å; F122-L126 HydrophobicContact CZ-CG 4.49Å; F122-L126 WeakPolarHBondContact O-CB 3.4Å; F122-L126 PolarHBondContact O-N 3.41Å; L126-S128 PolarHBondContact O-N 3.42Å; L126-V129 WeakPolarHBondContact O-CG2 3.39Å; L126-V129 PolarHBondContact O-N 3.02Å; L126-V129 VanDerWaalsContact O-N 3.16Å; L126-A130 WeakPolarHBondContact O-CB 3.3Å; L126-A130 PolarHBondContact O-N 3.09Å
127E97.4Very high95.5Very high1 Ų121.2 Ų21.21%0.00510%0.101CC..Hα-helixtrans-60.3-34.6178.5-167.7-179.6-152.600112.1H12 F40 V43 R47 S123 Y125 V129 A130 Y158 R159 Q187H12-E127 IonicContact CE1-OE1 3.84Å; F40-E127 HydrophobicContact CE1-CG 4.39Å; V43-E127 HydrophobicContact CB-CB 4.5Å; V43-E127 HydrophobicContact CG1-CB 3.82Å; V43-E127 HydrophobicContact CG1-CG 4.05Å; V43-E127 HydrophobicContact CG2-CB 3.84Å; V43-E127 HydrophobicContact CG2-CG 4.5Å; R47-E127 IonicContact CZ-OE2 3.93Å; R47-E127 IonicContact NH1-OE1 2.97Å; R47-E127 PolarHBondContact NH1-OE1 2.85Å; R47-E127 IonicContact NH1-OE2 3.84Å; R47-E127 PolarHBondContact NH1-OE2 3.37Å; R47-E127 IonicContact NH2-OE2 3.24Å; R47-E127 PolarHBondContact NH2-OE2 2.99Å; S123-E127 VanDerWaalsContact O-CB 3.28Å; S123-E127 WeakPolarHBondContact O-CB 2.78Å; S123-E127 PolarHBondContact O-N 3.24Å; Y125-E127 PolarHBondContact O-N 2.85Å; E127-V129 PolarHBondContact O-N 3.24Å; E127-A130 PolarHBondContact O-N 3.26Å; E127-Y158 PolarHBondContact OE1-OH 3.46Å; E127-R159 IonicContact OE1-NH2 3.46Å; E127-R159 PolarHBondContact OE1-NH2 2.86Å; E127-R159 VanDerWaalsContact OE1-NH2 3.13Å; E127-R159 IonicContact OE2-CZ 3.13Å; E127-R159 IonicContact OE2-NH1 3.93Å; E127-R159 IonicContact OE2-NH2 3.44Å; E127-R159 PolarHBondContact OE2-NH2 2.85Å; E127-Q187 PolarHBondContact O-NE2 3.25Å; E127-Q187 VanDerWaalsContact O-NE2 3.12Å
128S95.5Very high95.1Very high9 Ų919.2 Ų19.26%0.0639%0.092CC..Hα-helixtrans-60.4-30.4-179.976.70000113I124 Y125 L126 A183 L190I124-S128 PolarHBondContact O-N 3.32Å; Y125-S128 WeakPolarHBondContact O-CB 3.42Å; Y125-S128 PolarHBondContact O-N 3.42Å; Y125-S128 PolarHBondContact O-OG 3.14Å; L126-S128 PolarHBondContact O-N 3.42Å; S128-A183 VanDerWaalsContact CB-O 3.27Å; S128-A183 WeakPolarHBondContact CB-O 3.34Å; S128-L190 WeakPolarHBondContact O-CD1 3.4Å
129V96.6Very high94.5Very high22 Ų2221.6 Ų21.613%0.13311%0.11CC..Hα-helixtrans-113.1-3.6-177-64.40000113.8L98 V102 L126 E127 I131 L132 L190L98-V129 HydrophobicContact CB-CG2 4.18Å; L98-V129 HydrophobicContact CD1-CB 4.42Å; L98-V129 HydrophobicContact CD1-CG2 4.29Å; L98-V129 HydrophobicContact CD2-CB 4.14Å; L98-V129 HydrophobicContact CD2-CG2 4.12Å; L98-V129 HydrophobicContact CG-CG2 4.41Å; V102-V129 HydrophobicContact CG2-CG2 4.1Å; L126-V129 WeakPolarHBondContact O-CG2 3.39Å; L126-V129 PolarHBondContact O-N 3.02Å; L126-V129 VanDerWaalsContact O-N 3.16Å; E127-V129 PolarHBondContact O-N 3.24Å; V129-I131 PolarHBondContact O-N 3.17Å; V129-L132 HydrophobicContact CB-CD1 3.9Å; V129-L132 HydrophobicContact CB-CG 4.41Å; V129-L132 HydrophobicContact CG1-CD1 4.2Å; V129-L132 WeakPolarHBondContact O-CB 3.19Å; V129-L132 WeakPolarHBondContact O-CG 3.36Å; V129-L132 PolarHBondContact O-N 3.48Å; V129-L190 HydrophobicContact CG1-CD1 4.43Å
130A96.8Very high93.9Very high0 Ų023.9 Ų23.90%012%0.117CC..THydrogen-bonded Turntrans-60.7-22.1-174.700000113.9S36 L39 F40 L126 E127 P133S36-A130 WeakPolarHBondContact CA-O 3.28Å; S36-A130 VanDerWaalsContact CB-O 3.29Å; S36-A130 WeakPolarHBondContact CB-O 3.47Å; S36-A130 PolarHBondContact OG-O 3.03Å; L39-A130 HydrophobicContact CB-CB 3.81Å; F40-A130 HydrophobicContact CD1-CB 3.83Å; F40-A130 HydrophobicContact CE1-CB 3.6Å; F40-A130 HydrophobicContact CE2-CB 4.44Å; F40-A130 HydrophobicContact CG-CB 4.34Å; F40-A130 HydrophobicContact CZ-CB 3.92Å; L126-A130 WeakPolarHBondContact O-CB 3.3Å; L126-A130 PolarHBondContact O-N 3.09Å; E127-A130 PolarHBondContact O-N 3.26Å; A130-P133 WeakPolarHBondContact O-CD 3.46Å
131I94.5Very high93.3Very high0 Ų023.1 Ų23.10%012%0.12CC..THydrogen-bonded Turntrans-81.1-14.2178.5-15962.6000114.1F40 V129 Q134 L135 L152 L155 Y191F40-I131 HydrophobicContact CE2-CD1 3.95Å; F40-I131 HydrophobicContact CZ-CB 4.25Å; F40-I131 HydrophobicContact CZ-CD1 4.05Å; V129-I131 PolarHBondContact O-N 3.17Å; I131-Q134 HydrophobicContact CD1-CB 3.96Å; I131-Q134 HydrophobicContact CD1-CG 4.27Å; I131-Q134 HydrophobicContact CG1-CB 4.46Å; I131-Q134 WeakPolarHBondContact O-CB 3.45Å; I131-Q134 PolarHBondContact O-N 3.47Å; I131-L135 HydrophobicContact CG1-CG 4.22Å; I131-L135 HydrophobicContact CG2-CD1 3.93Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 PolarHBondContact O-N 3.35Å; I131-L152 HydrophobicContact CD1-CD2 3.67Å; I131-L152 HydrophobicContact CG1-CD2 4.14Å; I131-L155 HydrophobicContact CD1-CD2 3.81Å; I131-Y191 HydrophobicContact CB-CE1 4.49Å; I131-Y191 WeakPolarHBondContact CB-OH 3.46Å; I131-Y191 HydrophobicContact CD1-CE1 4.49Å; I131-Y191 HydrophobicContact CG1-CE1 3.85Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.34Å; I131-Y191 HydrophobicContact CG2-CE1 4.42Å; I131-Y191 HydrophobicContact CG2-CE2 4.17Å
132L93.7Very high92Very high41 Ų4124.6 Ų24.622%0.21514%0.135CC..Hα-helixtrans-55.9-43.3-174.8-71.6177.9000113.9F93 L98 V129 Q134 L135 F136 L190F93-L132 HydrophobicContact CE2-CB 4.19Å; F93-L132 HydrophobicContact CZ-CB 4.13Å; F93-L132 HydrophobicContact CZ-CD1 4.46Å; L98-L132 HydrophobicContact CD1-CB 4.3Å; L98-L132 HydrophobicContact CD1-CD1 4.33Å; L98-L132 HydrophobicContact CD2-CD1 3.79Å; V129-L132 HydrophobicContact CB-CD1 3.9Å; V129-L132 HydrophobicContact CB-CG 4.41Å; V129-L132 HydrophobicContact CG1-CD1 4.2Å; V129-L132 WeakPolarHBondContact O-CB 3.19Å; V129-L132 WeakPolarHBondContact O-CG 3.36Å; V129-L132 PolarHBondContact O-N 3.48Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 2.96Å; L132-L135 PolarHBondContact O-N 3.43Å; L132-F136 VanDerWaalsContact O-CB 3.27Å; L132-F136 WeakPolarHBondContact O-CB 3.35Å; L132-F136 PolarHBondContact O-N 3.29Å; L132-L190 HydrophobicContact CD2-CD1 3.94Å; L132-L190 HydrophobicContact CD2-CD2 3.81Å; L132-L190 HydrophobicContact CD2-CG 4.43Å; L132-L190 HydrophobicContact CG-CD1 4.21Å
133P95Very high90.6Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-56.6-41.8174.6-25.533.4000113.7S33 K35 S36 L39 F93 V95 A130 F136 M137S33-P133 VanDerWaalsContact OG-CB 3.28Å; S33-P133 WeakPolarHBondContact OG-CB 3.4Å; K35-P133 HydrophobicContact CB-CB 3.83Å; K35-P133 HydrophobicContact CB-CG 4.16Å; S36-P133 WeakPolarHBondContact OG-CB 3.16Å; S36-P133 WeakPolarHBondContact OG-CD 3.35Å; L39-P133 HydrophobicContact CD1-CG 4.07Å; F93-P133 HydrophobicContact CB-CB 3.93Å; F93-P133 HydrophobicContact CB-CG 4.26Å; F93-P133 HydrophobicContact CD1-CB 4.39Å; F93-P133 HydrophobicContact CD1-CG 3.79Å; F93-P133 HydrophobicContact CE1-CG 4.44Å; F93-P133 HydrophobicContact CG-CB 4.21Å; F93-P133 HydrophobicContact CG-CG 4.09Å; V95-P133 HydrophobicContact CG1-CG 4.15Å; A130-P133 WeakPolarHBondContact O-CD 3.46Å; P133-F136 PolarHBondContact O-N 3.15Å; P133-M137 WeakPolarHBondContact O-CB 3.26Å; P133-M137 PolarHBondContact O-N 3.28Å
134Q93.1Very high89.2Confident0 Ų029 Ų290%016%0.158CC..Hα-helixtrans-66-44.3176.9-177.864.770.500112.6G31 S36 I131 L132 F136 M137 I138 L152G31-Q134 PolarHBondContact O-NE2 2.95Å; S36-Q134 PolarHBondContact OG-N 3.25Å; I131-Q134 HydrophobicContact CD1-CB 3.96Å; I131-Q134 HydrophobicContact CD1-CG 4.27Å; I131-Q134 HydrophobicContact CG1-CB 4.46Å; I131-Q134 WeakPolarHBondContact O-CB 3.45Å; I131-Q134 PolarHBondContact O-N 3.47Å; L132-Q134 VanDerWaalsContact C-N 3.32Å; L132-Q134 PolarHBondContact O-N 2.96Å; Q134-F136 VanDerWaalsContact C-N 3.34Å; Q134-M137 PolarHBondContact O-N 2.97Å; Q134-I138 HydrophobicContact CG-CD1 4.18Å; Q134-I138 WeakPolarHBondContact O-CG1 3.37Å; Q134-I138 PolarHBondContact O-N 2.86Å; Q134-L152 HydrophobicContact CG-CD2 4.24Å
135L89.2Confident88.1Confident37 Ų3732.6 Ų32.619%0.19417%0.174CC..Hα-helixtrans-64-41.6177.2-66.1178.2000111.2I131 L132 M137 I138 S139 F194I131-L135 HydrophobicContact CG1-CG 4.22Å; I131-L135 HydrophobicContact CG2-CD1 3.93Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 PolarHBondContact O-N 3.35Å; L132-L135 PolarHBondContact O-N 3.43Å; L135-M137 VanDerWaalsContact C-N 3.35Å; L135-I138 PolarHBondContact O-N 3.02Å; L135-S139 PolarHBondContact O-N 3.44Å; L135-F194 HydrophobicContact CD2-CB 4.44Å
136F90Very high86.8Confident75 Ų7535.4 Ų35.433%0.32920%0.195SC..Hα-helixtrans-64.8-37.1176.1-175.6-98.5000112.8F93 L132 P133 Q134 S139 K140F93-F136 HydrophobicContact CB-CD1 4.02Å; F93-F136 HydrophobicContact CB-CG 4.47Å; F93-F136 HydrophobicContact CD2-CB 3.82Å; F93-F136 HydrophobicContact CD2-CD1 4.16Å; F93-F136 HydrophobicContact CD2-CD2 4.23Å; F93-F136 AromaticContact CD2-CG 3.82Å; F93-F136 HydrophobicContact CD2-CG 3.82Å; L132-F136 VanDerWaalsContact O-CB 3.27Å; L132-F136 WeakPolarHBondContact O-CB 3.35Å; L132-F136 PolarHBondContact O-N 3.29Å; P133-F136 PolarHBondContact O-N 3.15Å; Q134-F136 VanDerWaalsContact C-N 3.34Å; F136-S139 PolarHBondContact O-N 3.15Å; F136-S139 PolarHBondContact O-OG 3.48Å; F136-K140 HydrophobicContact CD1-CD 4.33Å; F136-K140 HydrophobicContact CE1-CD 3.75Å; F136-K140 HydrophobicContact CE1-CG 4.37Å; F136-K140 HydrophobicContact CZ-CD 4.19Å; F136-K140 VanDerWaalsContact CZ-CE 3.41Å; F136-K140 PolarHBondContact O-N 2.82Å; F136-K140 VanDerWaalsContact O-N 3.13Å
137M89.8Confident85.6Confident1 Ų139.6 Ų39.61%0.00522%0.216CC..Hα-helixtrans-64.6-45.1174.5-173.1-178.2-17800110.9D87 H90 D91 P133 Q134 L135 S139 K140 T141D87-M137 HydrophobicContact CB-CE 3.81Å; H90-M137 HydrophobicContact CB-CE 4.21Å; H90-M137 HydrophobicContact CB-CG 4.21Å; D91-M137 HydrophobicContact CB-SD 4.26Å; P133-M137 WeakPolarHBondContact O-CB 3.26Å; P133-M137 PolarHBondContact O-N 3.28Å; Q134-M137 PolarHBondContact O-N 2.97Å; L135-M137 VanDerWaalsContact C-N 3.35Å; M137-S139 VanDerWaalsContact C-N 3.32Å; M137-S139 PolarHBondContact O-N 3.08Å; M137-K140 PolarHBondContact O-N 2.87Å; M137-K140 VanDerWaalsContact O-N 3.16Å; M137-T141 HydrophobicContact CG-CG2 4.45Å; M137-T141 WeakPolarHBondContact O-CG2 3.46Å; M137-T141 PolarHBondContact O-N 3.44Å; M137-T141 PolarHBondContact O-OG1 2.77Å
138I87.5Confident84.7Confident9 Ų939.7 Ų39.75%0.04622%0.217CC..Hα-helixtrans-62.8-39.3178.3-68.2165.7000111.3Q134 L135 K140 T141 G142 A144 L152 L208 L210Q134-I138 HydrophobicContact CG-CD1 4.18Å; Q134-I138 WeakPolarHBondContact O-CG1 3.37Å; Q134-I138 PolarHBondContact O-N 2.86Å; L135-I138 PolarHBondContact O-N 3.02Å; I138-K140 VanDerWaalsContact C-N 3.29Å; I138-K140 PolarHBondContact O-N 2.91Å; I138-T141 PolarHBondContact O-N 3.39Å; I138-T141 PolarHBondContact O-OG1 3.17Å; I138-G142 PolarHBondContact O-N 3.44Å; I138-A144 HydrophobicContact CD1-CB 4.19Å; I138-A144 HydrophobicContact CG1-CB 4.22Å; I138-A144 HydrophobicContact CG2-CB 4.02Å; I138-L152 HydrophobicContact CD1-CD1 3.62Å; I138-L208 HydrophobicContact CG2-CD2 4.01Å; I138-L210 HydrophobicContact CG2-CD1 4.04Å
139S84Confident84Confident63 Ų6339.3 Ų39.344%0.44121%0.214SC..Hα-helixtrans-66.3-31.417670.60000113.4L135 F136 M137L135-S139 PolarHBondContact O-N 3.44Å; F136-S139 PolarHBondContact O-N 3.15Å; F136-S139 PolarHBondContact O-OG 3.48Å; M137-S139 VanDerWaalsContact C-N 3.32Å; M137-S139 PolarHBondContact O-N 3.08Å
140K84.3Confident83.5Confident108 Ų10841.6 Ų41.647%0.4722%0.223SC..Hα-helixtrans-75.3-40.7173.3-79.2-167165.6-1700113.9T92 F136 M137 I138 G142T92-K140 PolarHBondContact OG1-NZ 2.81Å; F136-K140 HydrophobicContact CD1-CD 4.33Å; F136-K140 HydrophobicContact CE1-CD 3.75Å; F136-K140 HydrophobicContact CE1-CG 4.37Å; F136-K140 HydrophobicContact CZ-CD 4.19Å; F136-K140 VanDerWaalsContact CZ-CE 3.41Å; F136-K140 PolarHBondContact O-N 2.82Å; F136-K140 VanDerWaalsContact O-N 3.13Å; M137-K140 PolarHBondContact O-N 2.87Å; M137-K140 VanDerWaalsContact O-N 3.16Å; I138-K140 VanDerWaalsContact C-N 3.29Å; I138-K140 PolarHBondContact O-N 2.91Å; K140-G142 VanDerWaalsContact C-N 3.35Å
141T83.8Confident83.1Confident53 Ų5341.9 Ų41.933%0.32522%0.224SC..Hα-helixtrans-81.4-16.9-176.357.20000113H90 M137 I138 E143H90-T141 HydrophobicContact CB-CG2 3.85Å; M137-T141 HydrophobicContact CG-CG2 4.45Å; M137-T141 WeakPolarHBondContact O-CG2 3.46Å; M137-T141 PolarHBondContact O-N 3.44Å; M137-T141 PolarHBondContact O-OG1 2.77Å; I138-T141 PolarHBondContact O-N 3.39Å; I138-T141 PolarHBondContact O-OG1 3.17Å; T141-E143 PolarHBondContact O-N 2.99Å; T141-E143 PolarHBondContact OG1-O 2.97Å
142G71.4Confident82.8Confident30 Ų3041.9 Ų41.931%0.30922%0.224SC..SBendtrans73.6-9.2175.100000115.2I138 K140 S209I138-G142 PolarHBondContact O-N 3.44Å; K140-G142 VanDerWaalsContact C-N 3.35Å; G142-S209 WeakPolarHBondContact O-CA 3.49Å
143E68.4Low82.6Confident103 Ų10342.4 Ų42.448%0.48123%0.225SC..  trans-137.4145.1172.9-65-163.9167.200111.4T141 K207 L208T141-E143 PolarHBondContact O-N 2.99Å; T141-E143 PolarHBondContact OG1-O 2.97Å; E143-K207 WeakPolarHBondContact OE1-CD 3.22Å; E143-K207 IonicContact OE1-NZ 2.83Å; E143-K207 PolarHBondContact OE1-NZ 3.15Å; E143-K207 VanDerWaalsContact OE1-NZ 3.13Å; E143-K207 IonicContact OE2-NZ 2.66Å; E143-K207 PolarHBondContact OE2-NZ 2.87Å; E143-L208 WeakPolarHBondContact CA-O 3.5Å
144A69.5Low82.6Confident14 Ų1445.6 Ų45.612%0.11624%0.239CC..BIsolated β-bridgetrans-119.2134164.900000110.5I138 L208I138-A144 HydrophobicContact CD1-CB 4.19Å; I138-A144 HydrophobicContact CG1-CB 4.22Å; I138-A144 HydrophobicContact CG2-CB 4.02Å; A144-L208 HydrophobicContact CB-CD2 3.89Å; A144-L208 PolarHBondContact N-O 3.08Å
145E74.1Confident82.5Confident94 Ų9445.8 Ų45.844%0.43924%0.24SC..  trans-62.3140.6173.6-68.3179.7169.300111.4K22 I147 T148 T149K22-E145 WeakPolarHBondContact CE-OE2 3.46Å; K22-E145 IonicContact NZ-OE2 2.73Å; K22-E145 PolarHBondContact NZ-OE2 2.63Å; E145-I147 VanDerWaalsContact C-N 3.25Å; E145-I147 PolarHBondContact O-N 3.36Å; E145-I147 VanDerWaalsContact O-N 3.1Å; E145-T148 WeakPolarHBondContact O-CA 3.46Å; E145-T148 VanDerWaalsContact O-CB 3.28Å; E145-T148 WeakPolarHBondContact O-CB 3.37Å; E145-T148 PolarHBondContact O-N 3.11Å; E145-T149 PolarHBondContact O-N 3.28Å; E145-T149 VanDerWaalsContact O-N 3.08Å; E145-T149 PolarHBondContact O-OG1 3.48Å
146T69.8Low82.5Confident84 Ų8444 Ų4452%0.51523%0.23SC..Hα-helixtrans-51.9-38.8-176.9-49.10000113.8T149 H150 V202T146-T149 VanDerWaalsContact O-CB 3.31Å; T146-T149 WeakPolarHBondContact O-CB 3.36Å; T146-T149 PolarHBondContact O-N 3.07Å; T146-H150 PolarHBondContact O-CD2 2.92Å; T146-H150 PolarHBondContact O-N 3.08Å; T146-V202 HydrophobicContact CG2-CG1 4.17Å
147I73.6Confident82.7Confident88 Ų8843.1 Ų43.145%0.45123%0.229SC..Hα-helixtrans-68.1-40179-58.3177.6000111.2I18 K22 E145 T149 H150 Y151I18-I147 HydrophobicContact CG2-CG2 4.03Å; K22-I147 HydrophobicContact CB-CG2 3.82Å; K22-I147 HydrophobicContact CG-CB 4.14Å; K22-I147 HydrophobicContact CG-CD1 4.47Å; K22-I147 HydrophobicContact CG-CG2 3.61Å; E145-I147 VanDerWaalsContact C-N 3.25Å; E145-I147 PolarHBondContact O-N 3.36Å; E145-I147 VanDerWaalsContact O-N 3.1Å; I147-T149 PolarHBondContact O-N 2.89Å; I147-H150 PolarHBondContact O-N 3.45Å; I147-Y151 PolarHBondContact O-N 3.31Å
148T78.7Confident82.9Confident3 Ų343.1 Ų43.12%0.01823%0.229CC..Hα-helixtrans-60.3-35.4173-53.60000110.3I32 E145 Y151 L152I32-T148 HydrophobicContact CD1-CG2 3.69Å; E145-T148 WeakPolarHBondContact O-CA 3.46Å; E145-T148 VanDerWaalsContact O-CB 3.28Å; E145-T148 WeakPolarHBondContact O-CB 3.37Å; E145-T148 PolarHBondContact O-N 3.11Å; T148-Y151 HydrophobicContact CG2-CD1 4.32Å; T148-Y151 WeakPolarHBondContact O-CB 3.15Å; T148-Y151 WeakPolarHBondContact O-CD1 3.43Å; T148-Y151 PolarHBondContact O-N 2.93Å; T148-L152 HydrophobicContact CG2-CD1 4.36Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 2.98Å
149T79.9Confident83Confident1 Ų143.3 Ų43.31%0.00623%0.229CC..Hα-helixtrans-68.4-38.2177.2-33.90000112.9E145 T146 I147 L152 F153 F194 Y198 V202 L208E145-T149 PolarHBondContact O-N 3.28Å; E145-T149 VanDerWaalsContact O-N 3.08Å; E145-T149 PolarHBondContact O-OG1 3.48Å; T146-T149 VanDerWaalsContact O-CB 3.31Å; T146-T149 WeakPolarHBondContact O-CB 3.36Å; T146-T149 PolarHBondContact O-N 3.07Å; I147-T149 PolarHBondContact O-N 2.89Å; T149-L152 PolarHBondContact O-N 3.2Å; T149-F153 WeakPolarHBondContact O-CB 3.36Å; T149-F153 PolarHBondContact O-N 2.92Å; T149-F194 HydrophobicContact CG2-CE2 3.66Å; T149-F194 HydrophobicContact CG2-CZ 3.38Å; T149-F194 WeakPolarHBondContact O-CZ 3.37Å; T149-Y198 HydrophobicContact CG2-CD2 3.26Å; T149-Y198 HydrophobicContact CG2-CE2 3.75Å; T149-Y198 HydrophobicContact CG2-CG 4.32Å; T149-V202 HydrophobicContact CG2-CB 4.44Å; T149-V202 HydrophobicContact CG2-CG1 4.38Å; T149-V202 HydrophobicContact CG2-CG2 3.8Å; T149-L208 HydrophobicContact CG2-CD1 4.04Å
150H87.3Confident83.4Confident70 Ų7041.7 Ų41.732%0.32422%0.219SC..Hα-helixtrans-64.7-42171.7-67.1-50.5000112.3T146 I147 L152 F153 F154 Y198T146-H150 PolarHBondContact O-CD2 2.92Å; T146-H150 PolarHBondContact O-N 3.08Å; I147-H150 PolarHBondContact O-N 3.45Å; H150-L152 PolarHBondContact O-N 3.46Å; H150-F153 PolarHBondContact O-N 2.9Å; H150-F154 WeakPolarHBondContact O-CD2 3.28Å; H150-F154 PolarHBondContact O-N 3.21Å; H150-Y198 PolarHBondContact CE1-OH 3.37Å; H150-Y198 AromaticContact ND1-CZ 3.9Å; H150-Y198 PolarHBondContact ND1-OH 3.31Å
151Y88.8Confident83.8Confident5 Ų538 Ų382%0.0220%0.204CC..Hα-helixtrans-54.1-53.4172.7147.9-110.4000111.2A15 L19 Q37 I147 T148 F153 F154 L155A15-Y151 HydrophobicContact CB-CD2 4.04Å; A15-Y151 HydrophobicContact CB-CE2 4.49Å; A15-Y151 WeakPolarHBondContact O-CD2 3.28Å; L19-Y151 HydrophobicContact CB-CD2 3.94Å; L19-Y151 HydrophobicContact CB-CE2 4.36Å; L19-Y151 HydrophobicContact CB-CG 4.21Å; L19-Y151 HydrophobicContact CD2-CD2 4.32Å; L19-Y151 HydrophobicContact CD2-CE1 4.36Å; L19-Y151 HydrophobicContact CD2-CE2 3.97Å; Q37-Y151 PolarHBondContact NE2-OH 2.94Å; I147-Y151 PolarHBondContact O-N 3.31Å; T148-Y151 HydrophobicContact CG2-CD1 4.32Å; T148-Y151 WeakPolarHBondContact O-CB 3.15Å; T148-Y151 WeakPolarHBondContact O-CD1 3.43Å; T148-Y151 PolarHBondContact O-N 2.93Å; Y151-F153 VanDerWaalsContact C-N 3.29Å; Y151-F153 PolarHBondContact O-N 3.49Å; Y151-F154 PolarHBondContact O-N 3.4Å; Y151-L155 HydrophobicContact CE2-CB 4.42Å; Y151-L155 HydrophobicContact CE2-CD1 4.5Å; Y151-L155 HydrophobicContact CE2-CD2 3.79Å; Y151-L155 HydrophobicContact CE2-CG 4.5Å; Y151-L155 VanDerWaalsContact O-CB 3.32Å; Y151-L155 WeakPolarHBondContact O-CB 3.49Å; Y151-L155 PolarHBondContact O-N 3.49Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.22Å
152L87.8Confident84.2Confident0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-63.6-34.5-179.7-72.1173000112.3I131 Q134 I138 T148 T149 H150 L155 G156 Y191 F194I131-L152 HydrophobicContact CD1-CD2 3.67Å; I131-L152 HydrophobicContact CG1-CD2 4.14Å; Q134-L152 HydrophobicContact CG-CD2 4.24Å; I138-L152 HydrophobicContact CD1-CD1 3.62Å; T148-L152 HydrophobicContact CG2-CD1 4.36Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 2.98Å; T149-L152 PolarHBondContact O-N 3.2Å; H150-L152 PolarHBondContact O-N 3.46Å; L152-L155 PolarHBondContact O-N 3.48Å; L152-G156 PolarHBondContact O-N 2.94Å; L152-Y191 HydrophobicContact CD2-CE1 4.5Å; L152-F194 HydrophobicContact CB-CD1 4.1Å; L152-F194 HydrophobicContact CB-CD2 4.36Å; L152-F194 HydrophobicContact CB-CE1 3.39Å; L152-F194 HydrophobicContact CB-CE2 3.68Å; L152-F194 HydrophobicContact CB-CZ 3.14Å; L152-F194 HydrophobicContact CD1-CD2 3.88Å; L152-F194 HydrophobicContact CD1-CE2 3.33Å; L152-F194 HydrophobicContact CD1-CZ 3.75Å; L152-F194 HydrophobicContact CG-CE2 4.14Å; L152-F194 HydrophobicContact CG-CZ 4.08Å
153F89.8Confident85.2Confident53 Ų5337.8 Ų37.823%0.23219%0.191CC..Hα-helixtrans-64-51.3175.5174.4-98.9000112T149 H150 Y151 L155 G156 L157 F194 F195 Y198T149-F153 WeakPolarHBondContact O-CB 3.36Å; T149-F153 PolarHBondContact O-N 2.92Å; H150-F153 PolarHBondContact O-N 2.9Å; Y151-F153 VanDerWaalsContact C-N 3.29Å; Y151-F153 PolarHBondContact O-N 3.49Å; F153-L155 PolarHBondContact O-N 3.18Å; F153-G156 PolarHBondContact O-N 2.66Å; F153-L157 HydrophobicContact CE1-CD2 4.08Å; F153-L157 HydrophobicContact CZ-CD2 4.37Å; F153-L157 VanDerWaalsContact O-CB 3.31Å; F153-L157 WeakPolarHBondContact O-CB 3.3Å; F153-L157 PolarHBondContact O-N 3.41Å; F153-F194 HydrophobicContact CB-CE1 4.48Å; F153-F195 HydrophobicContact CD2-CD1 4.04Å; F153-F195 AromaticContact CD2-CE1 3.88Å; F153-F195 HydrophobicContact CD2-CE1 3.88Å; F153-F195 HydrophobicContact CE2-CD1 4.47Å; F153-F195 HydrophobicContact CE2-CE1 4.27Å; F153-Y198 HydrophobicContact CB-CD1 4.3Å; F153-Y198 HydrophobicContact CB-CE1 3.94Å; F153-Y198 HydrophobicContact CB-CE2 4.33Å; F153-Y198 HydrophobicContact CD1-CE1 4.28Å; F153-Y198 AromaticContact CD2-CD1 3.47Å; F153-Y198 HydrophobicContact CD2-CD1 3.47Å; F153-Y198 VanDerWaalsContact CD2-CD1 3.47Å; F153-Y198 AromaticContact CD2-CE1 3.33Å; F153-Y198 HydrophobicContact CD2-CE1 3.33Å; F153-Y198 HydrophobicContact CD2-CG 4.41Å; F153-Y198 HydrophobicContact CE2-CD1 4.07Å; F153-Y198 AromaticContact CE2-CE1 3.86Å; F153-Y198 HydrophobicContact CE2-CE1 3.86Å; F153-Y198 HydrophobicContact CG-CD1 4.07Å; F153-Y198 AromaticContact CG-CE1 3.56Å; F153-Y198 HydrophobicContact CG-CE1 3.56Å; F153-Y198 AromaticContact CG-CZ 3.94Å
154F93.2Very high86.4Confident67 Ų6736.5 Ų36.529%0.29419%0.187SC..Hα-helixtrans-64.4-31.2177.3-74.9-66000112.2S11 A15 I18 H150 Y151 L157 Y158S11-F154 PolarHBondContact OG-O 3.43Å; A15-F154 HydrophobicContact CB-CB 3.76Å; I18-F154 HydrophobicContact CD1-CD2 3.39Å; I18-F154 HydrophobicContact CD1-CE2 3.51Å; I18-F154 HydrophobicContact CD1-CG 4.43Å; H150-F154 WeakPolarHBondContact O-CD2 3.28Å; H150-F154 PolarHBondContact O-N 3.21Å; Y151-F154 PolarHBondContact O-N 3.4Å; F154-L157 HydrophobicContact CD1-CD2 4.48Å; F154-L157 PolarHBondContact O-N 3.4Å; F154-Y158 PolarHBondContact O-N 3.13Å; F154-Y158 VanDerWaalsContact O-N 3.15Å
155L91.2Very high87.5Confident3 Ų335.9 Ų35.92%0.01618%0.182CC..Hα-helixtrans-70.2-37.4174-161.870.4000112.1A15 F40 I131 Y151 L152 F153 Y158 Y191A15-L155 HydrophobicContact CB-CB 4.09Å; A15-L155 HydrophobicContact CB-CD1 4.21Å; F40-L155 HydrophobicContact CE2-CD2 4.18Å; F40-L155 HydrophobicContact CZ-CD2 3.89Å; I131-L155 HydrophobicContact CD1-CD2 3.81Å; Y151-L155 HydrophobicContact CE2-CB 4.42Å; Y151-L155 HydrophobicContact CE2-CD1 4.5Å; Y151-L155 HydrophobicContact CE2-CD2 3.79Å; Y151-L155 HydrophobicContact CE2-CG 4.5Å; Y151-L155 VanDerWaalsContact O-CB 3.32Å; Y151-L155 WeakPolarHBondContact O-CB 3.49Å; Y151-L155 PolarHBondContact O-N 3.49Å; Y151-L155 WeakPolarHBondContact OH-CD2 3.22Å; L152-L155 PolarHBondContact O-N 3.48Å; F153-L155 PolarHBondContact O-N 3.18Å; L155-Y158 HydrophobicContact CD1-CD1 4.02Å; L155-Y158 HydrophobicContact CD1-CE1 3.52Å; L155-Y158 HydrophobicContact CG-CD1 4.38Å; L155-Y158 HydrophobicContact CG-CE1 3.84Å; L155-Y158 WeakPolarHBondContact O-CD1 3.35Å; L155-Y158 WeakPolarHBondContact O-CE1 3.39Å; L155-Y191 HydrophobicContact CB-CE1 4.49Å; L155-Y191 HydrophobicContact CD2-CE1 4.37Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.24Å; L155-Y191 WeakPolarHBondContact CG-OH 3.36Å
156G90.9Very high88.4Confident0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-70.6-42.2171.100000111.5L152 F153 Y158 R159 A160L152-G156 PolarHBondContact O-N 2.94Å; F153-G156 PolarHBondContact O-N 2.66Å; G156-Y158 VanDerWaalsContact C-N 3.33Å; G156-Y158 PolarHBondContact O-N 2.73Å; G156-R159 PolarHBondContact O-N 2.69Å; G156-A160 PolarHBondContact O-N 3.24Å; G156-A160 VanDerWaalsContact O-N 3.11Å
157L92.6Very high89.5Confident56 Ų5634.3 Ų34.329%0.29317%0.17SC..Hα-helixtrans-61.9-40-172.9179.561.7000111.8F153 F154 R159 A160 L161F153-L157 HydrophobicContact CE1-CD2 4.08Å; F153-L157 HydrophobicContact CZ-CD2 4.37Å; F153-L157 VanDerWaalsContact O-CB 3.31Å; F153-L157 WeakPolarHBondContact O-CB 3.3Å; F153-L157 PolarHBondContact O-N 3.41Å; F154-L157 HydrophobicContact CD1-CD2 4.48Å; F154-L157 PolarHBondContact O-N 3.4Å; L157-R159 PolarHBondContact O-N 3.41Å; L157-A160 PolarHBondContact O-N 2.96Å; L157-L161 HydrophobicContact CD1-CD1 4.39Å; L157-L161 HydrophobicContact CD1-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 4.05Å; L157-L161 HydrophobicContact CG-CG 4.46Å; L157-L161 WeakPolarHBondContact O-CG 3.34Å; L157-L161 PolarHBondContact O-N 3.45Å
158Y93.7Very high90.4Very high2 Ų235.1 Ų35.11%0.00817%0.168CC..Hα-helixtrans-59.2-38.3176.690.6-99.8000111.2G8 H12 E127 F154 L155 G156 L161 Y162 Q187G8-Y158 WeakPolarHBondContact O-CB 3.4Å; H12-Y158 HydrophobicContact CB-CD1 3.92Å; H12-Y158 HydrophobicContact CB-CD2 4.23Å; H12-Y158 HydrophobicContact CB-CG 3.75Å; H12-Y158 AromaticContact CG-CD1 3.91Å; E127-Y158 PolarHBondContact OE1-OH 3.46Å; F154-Y158 PolarHBondContact O-N 3.13Å; F154-Y158 VanDerWaalsContact O-N 3.15Å; L155-Y158 HydrophobicContact CD1-CD1 4.02Å; L155-Y158 HydrophobicContact CD1-CE1 3.52Å; L155-Y158 HydrophobicContact CG-CD1 4.38Å; L155-Y158 HydrophobicContact CG-CE1 3.84Å; L155-Y158 WeakPolarHBondContact O-CD1 3.35Å; L155-Y158 WeakPolarHBondContact O-CE1 3.39Å; G156-Y158 VanDerWaalsContact C-N 3.33Å; G156-Y158 PolarHBondContact O-N 2.73Å; Y158-L161 PolarHBondContact O-N 3.28Å; Y158-Y162 HydrophobicContact CD2-CD2 4.16Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.19Å; Y158-Y162 PolarHBondContact O-N 3Å; Y158-Q187 PolarHBondContact OH-NE2 3.1Å
159R91.2Very high91.1Very high13 Ų1337.2 Ų37.25%0.04918%0.175CC..Hα-helixtrans-71.9-39-178.2-16756.555.9165.38.9111.8E127 G156 L157 L161 Y162 L163 Q187 T188E127-R159 IonicContact OE1-NH2 3.46Å; E127-R159 PolarHBondContact OE1-NH2 2.86Å; E127-R159 VanDerWaalsContact OE1-NH2 3.13Å; E127-R159 IonicContact OE2-CZ 3.13Å; E127-R159 IonicContact OE2-NH1 3.93Å; E127-R159 IonicContact OE2-NH2 3.44Å; E127-R159 PolarHBondContact OE2-NH2 2.85Å; G156-R159 PolarHBondContact O-N 2.69Å; L157-R159 PolarHBondContact O-N 3.41Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 2.87Å; R159-Y162 WeakPolarHBondContact O-CB 3.29Å; R159-Y162 PolarHBondContact O-N 3.2Å; R159-Y162 VanDerWaalsContact O-N 3.15Å; R159-L163 PolarHBondContact O-N 3.41Å; R159-Q187 HydrophobicContact CG-CB 4.02Å; R159-Q187 HydrophobicContact CG-CG 4.03Å; R159-T188 VanDerWaalsContact CG-OG1 3.31Å; R159-T188 WeakPolarHBondContact CG-OG1 3.34Å
160A91Very high91.7Very high29 Ų2943 Ų4324%0.2420%0.201CC..Hα-helixtrans-59.7-43171.600000111.8G156 L157 Y162 L163 I164G156-A160 PolarHBondContact O-N 3.24Å; G156-A160 VanDerWaalsContact O-N 3.11Å; L157-A160 PolarHBondContact O-N 2.96Å; A160-Y162 VanDerWaalsContact C-N 3.3Å; A160-Y162 PolarHBondContact O-N 3.36Å; A160-L163 WeakPolarHBondContact O-CB 3.28Å; A160-L163 PolarHBondContact O-N 2.91Å; A160-I164 PolarHBondContact O-N 3.33Å
161L93.8Very high92Very high30 Ų3048.1 Ų48.116%0.15722%0.218CC..Hα-helixtrans-64.4-34.8174.9-69.8168.6000112.2L157 Y158 R159 I164 N165L157-L161 HydrophobicContact CD1-CD1 4.39Å; L157-L161 HydrophobicContact CD1-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 4.05Å; L157-L161 HydrophobicContact CG-CG 4.46Å; L157-L161 WeakPolarHBondContact O-CG 3.34Å; L157-L161 PolarHBondContact O-N 3.45Å; Y158-L161 PolarHBondContact O-N 3.28Å; R159-L161 VanDerWaalsContact C-N 3.33Å; R159-L161 PolarHBondContact O-N 2.87Å; L161-I164 PolarHBondContact O-N 2.86Å; L161-N165 WeakPolarHBondContact O-CB 3.4Å; L161-N165 PolarHBondContact O-N 3.34Å
162Y92.4Very high92.2Very high38 Ų3853.8 Ų53.815%0.14924%0.243CC..Hα-helixtrans-66.4-36.6174.6-99.1-104.1000113.1D9 Y158 R159 A160 N165 W166D9-Y162 WeakPolarHBondContact OD1-CE2 3.48Å; D9-Y162 PolarHBondContact OD1-OH 2.94Å; Y158-Y162 HydrophobicContact CD2-CD2 4.16Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.19Å; Y158-Y162 PolarHBondContact O-N 3Å; R159-Y162 WeakPolarHBondContact O-CB 3.29Å; R159-Y162 PolarHBondContact O-N 3.2Å; R159-Y162 VanDerWaalsContact O-N 3.15Å; A160-Y162 VanDerWaalsContact C-N 3.3Å; A160-Y162 PolarHBondContact O-N 3.36Å; Y162-N165 WeakPolarHBondContact O-CB 3.47Å; Y162-N165 PolarHBondContact O-N 3.47Å; Y162-W166 AromaticContact CD1-CZ2 4Å; Y162-W166 HydrophobicContact CD1-CZ2 4Å; Y162-W166 VanDerWaalsContact O-CD2 3.24Å; Y162-W166 PolarHBondContact O-N 3.31Å
163L91.9Very high92.4Very high40 Ų4058.3 Ų58.321%0.20927%0.265CS..Hα-helixtrans-59.9-45.9171.6-70.8171.6000111.2R159 A160 N165 W166 I167 V185 T188R159-L163 PolarHBondContact O-N 3.41Å; A160-L163 WeakPolarHBondContact O-CB 3.28Å; A160-L163 PolarHBondContact O-N 2.91Å; L163-N165 VanDerWaalsContact C-N 3.33Å; L163-N165 PolarHBondContact O-N 3.34Å; L163-W166 HydrophobicContact CD2-CE3 3.76Å; L163-W166 HydrophobicContact CD2-CZ3 3.62Å; L163-W166 HydrophobicContact CG-CE3 4.42Å; L163-W166 HydrophobicContact CG-CZ3 4.25Å; L163-W166 PolarHBondContact O-N 3.29Å; L163-W166 VanDerWaalsContact O-N 3.17Å; L163-I167 WeakPolarHBondContact O-CG1 3.5Å; L163-I167 PolarHBondContact O-N 2.88Å; L163-I167 VanDerWaalsContact O-N 3.09Å; L163-V185 HydrophobicContact CD2-CG2 3.65Å; L163-T188 HydrophobicContact CD1-CG2 3.81Å; L163-T188 WeakPolarHBondContact CD1-OG1 3.49Å
164I93.4Very high92.4Very high76 Ų7658.8 Ų58.839%0.3928%0.284SS..Hα-helixtrans-64.1-40.9177.1-58.9168.8000110.7F4 A160 L161 W166 I167 W168F4-I164 HydrophobicContact CD1-CB 4.24Å; F4-I164 HydrophobicContact CD1-CG2 3.59Å; F4-I164 HydrophobicContact CD2-CG2 4.02Å; F4-I164 HydrophobicContact CE1-CG2 3.63Å; F4-I164 HydrophobicContact CE2-CG2 4.07Å; F4-I164 HydrophobicContact CG-CB 4.37Å; F4-I164 HydrophobicContact CG-CG2 3.79Å; F4-I164 HydrophobicContact CZ-CG2 3.87Å; A160-I164 PolarHBondContact O-N 3.33Å; L161-I164 PolarHBondContact O-N 2.86Å; I164-W166 VanDerWaalsContact C-N 3.31Å; I164-W166 PolarHBondContact O-N 2.89Å; I164-I167 PolarHBondContact O-N 2.98Å; I164-W168 PolarHBondContact O-N 2.91Å
165N92.9Very high92.2Very high2 Ų259.1 Ų59.11%0.01129%0.286CS..Hα-helixtrans-57.2-42.7172.9160.576.7000111.9N2 F4 R5 L161 Y162 L163 W168 R169N2-N165 PolarHBondContact ND2-OD1 3.08Å; N2-N165 PolarHBondContact OD1-OD1 3.49Å; F4-N165 HydrophobicContact CB-CB 3.84Å; R5-N165 HydrophobicContact CB-CB 4.48Å; L161-N165 WeakPolarHBondContact O-CB 3.4Å; L161-N165 PolarHBondContact O-N 3.34Å; Y162-N165 WeakPolarHBondContact O-CB 3.47Å; Y162-N165 PolarHBondContact O-N 3.47Å; L163-N165 VanDerWaalsContact C-N 3.33Å; L163-N165 PolarHBondContact O-N 3.34Å; N165-W168 WeakPolarHBondContact O-CB 3.44Å; N165-W168 PolarHBondContact O-N 3.31Å; N165-R169 WeakPolarHBondContact O-CB 3.38Å; N165-R169 VanDerWaalsContact O-CG 3.28Å; N165-R169 WeakPolarHBondContact O-CG 3.37Å; N165-R169 PolarHBondContact O-N 2.89Å
166W92.6Very high92.1Very high24 Ų2464.9 Ų64.99%0.09131%0.311CS..Hα-helixtrans-67.6-38.7178.5-63.8-43.3000112.5Y162 L163 I164 W168 R169 F170 A180 I181Y162-W166 AromaticContact CD1-CZ2 4Å; Y162-W166 HydrophobicContact CD1-CZ2 4Å; Y162-W166 VanDerWaalsContact O-CD2 3.24Å; Y162-W166 PolarHBondContact O-N 3.31Å; L163-W166 HydrophobicContact CD2-CE3 3.76Å; L163-W166 HydrophobicContact CD2-CZ3 3.62Å; L163-W166 HydrophobicContact CG-CE3 4.42Å; L163-W166 HydrophobicContact CG-CZ3 4.25Å; L163-W166 PolarHBondContact O-N 3.29Å; L163-W166 VanDerWaalsContact O-N 3.17Å; I164-W166 VanDerWaalsContact C-N 3.31Å; I164-W166 PolarHBondContact O-N 2.89Å; W166-W168 VanDerWaalsContact C-N 3.33Å; W166-W168 PolarHBondContact O-N 3.33Å; W166-R169 PolarHBondContact O-N 2.88Å; W166-F170 WeakPolarHBondContact O-CB 3.38Å; W166-F170 PolarHBondContact O-N 3.44Å; W166-A180 WeakPolarHBondContact CH2-O 3.23Å; W166-A180 HydrophobicContact CZ2-CB 4.06Å; W166-I181 HydrophobicContact CB-CD1 4.39Å; W166-I181 HydrophobicContact CB-CG1 4.04Å; W166-I181 HydrophobicContact CD2-CG1 3.93Å; W166-I181 HydrophobicContact CE3-CB 4.39Å; W166-I181 HydrophobicContact CE3-CG1 3.96Å; W166-I181 HydrophobicContact CG-CG1 3.96Å
167I92.4Very high92.1Very high121 Ų12165.7 Ų65.762%0.62132%0.315SS*.Hα-helixtrans-59.6-46172.8-64.7167.5000110.4L163 I164 F170 Y171L163-I167 WeakPolarHBondContact O-CG1 3.5Å; L163-I167 PolarHBondContact O-N 2.88Å; L163-I167 VanDerWaalsContact O-N 3.09Å; I164-I167 PolarHBondContact O-N 2.98Å; I167-F170 PolarHBondContact O-N 2.7Å; I167-Y171 PolarHBondContact O-N 3.37Å; I167-Y171 VanDerWaalsContact O-N 3.08Å
168W93.8Very high92.1Very high105 Ų10569 Ų6940%0.39833%0.33SS..Hα-helixtrans-59.3-49.5176.7-178.7-77.6000111.9F4 I164 N165 W166 F170 Y171 F172F4-W168 HydrophobicContact CD2-CB 4.32Å; F4-W168 HydrophobicContact CD2-CD2 4.46Å; F4-W168 HydrophobicContact CD2-CE3 4.4Å; F4-W168 HydrophobicContact CD2-CG 4.45Å; F4-W168 HydrophobicContact CE2-CB 4.47Å; F4-W168 HydrophobicContact CE2-CD2 4.06Å; F4-W168 AromaticContact CE2-CE3 3.58Å; F4-W168 HydrophobicContact CE2-CE3 3.58Å; F4-W168 HydrophobicContact CE2-CG 4.46Å; F4-W168 HydrophobicContact CE2-CZ3 4.15Å; F4-W168 HydrophobicContact CZ-CE3 4.48Å; I164-W168 PolarHBondContact O-N 2.91Å; N165-W168 WeakPolarHBondContact O-CB 3.44Å; N165-W168 PolarHBondContact O-N 3.31Å; W166-W168 VanDerWaalsContact C-N 3.33Å; W166-W168 PolarHBondContact O-N 3.33Å; W168-F170 VanDerWaalsContact C-N 3.32Å; W168-F170 PolarHBondContact O-N 2.97Å; W168-Y171 PolarHBondContact O-N 3.39Å; W168-F172 AromaticContact CD1-CD2 3.91Å; W168-F172 AromaticContact CD2-CD2 3.51Å; W168-F172 HydrophobicContact CD2-CD2 3.51Å; W168-F172 AromaticContact CD2-CE2 3.65Å; W168-F172 HydrophobicContact CD2-CE2 3.65Å; W168-F172 AromaticContact CE2-CD2 3.43Å; W168-F172 VanDerWaalsContact CE2-CD2 3.43Å; W168-F172 AromaticContact CE2-CE2 3.71Å; W168-F172 AromaticContact CE3-CD2 3.96Å; W168-F172 HydrophobicContact CE3-CD2 3.96Å; W168-F172 AromaticContact CE3-CE2 3.57Å; W168-F172 HydrophobicContact CE3-CE2 3.57Å; W168-F172 AromaticContact CG-CD2 3.86Å; W168-F172 HydrophobicContact CG-CD2 3.86Å; W168-F172 HydrophobicContact CG-CE2 4.39Å; W168-F172 HydrophobicContact CH2-CD2 4.29Å; W168-F172 AromaticContact CH2-CE2 3.73Å; W168-F172 HydrophobicContact CH2-CE2 3.73Å; W168-F172 HydrophobicContact CH2-CZ 4.12Å; W168-F172 AromaticContact CZ2-CD2 3.85Å; W168-F172 HydrophobicContact CZ2-CD2 3.85Å; W168-F172 AromaticContact CZ2-CE2 3.77Å; W168-F172 HydrophobicContact CZ2-CE2 3.77Å; W168-F172 HydrophobicContact CZ2-CG 4.45Å; W168-F172 HydrophobicContact CZ2-CZ 4.3Å; W168-F172 HydrophobicContact CZ3-CD2 4.33Å; W168-F172 AromaticContact CZ3-CE2 3.63Å; W168-F172 HydrophobicContact CZ3-CE2 3.63Å; W168-F172 HydrophobicContact CZ3-CZ 4.28Å; W168-F172 AromaticContact NE1-CD2 3.65Å; W168-F172 WeakPolarHBondContact O-CB 3.35Å; W168-F172 WeakPolarHBondContact O-CD2 3.46Å; W168-F172 PolarHBondContact O-N 3.11Å
169R92.1Very high92Very high47 Ų4769.6 Ų69.618%0.17733%0.333CS..Hα-helixtrans-66.6-34-178.7-68.5-173.372.6-147.3-7.3112.3N165 W166 E173 G174 F175N165-R169 WeakPolarHBondContact O-CB 3.38Å; N165-R169 VanDerWaalsContact O-CG 3.28Å; N165-R169 WeakPolarHBondContact O-CG 3.37Å; N165-R169 PolarHBondContact O-N 2.89Å; W166-R169 PolarHBondContact O-N 2.88Å; R169-E173 IonicContact CZ-OE2 2.72Å; R169-E173 IonicContact NE-OE1 2.94Å; R169-E173 IonicContact NE-OE2 3.43Å; R169-E173 PolarHBondContact NE-OE2 3.08Å; R169-E173 IonicContact NH2-OE2 3.13Å; R169-E173 PolarHBondContact NH2-OE2 3.17Å; R169-E173 CarbonylContact O-C 3.41Å; R169-E173 VanDerWaalsContact O-CA 3.28Å; R169-E173 WeakPolarHBondContact O-CA 3.47Å; R169-E173 VanDerWaalsContact O-CB 3.24Å; R169-E173 WeakPolarHBondContact O-CB 3.33Å; R169-E173 PolarHBondContact O-N 2.94Å; R169-G174 PolarHBondContact O-N 2.94Å; R169-G174 VanDerWaalsContact O-N 3.1Å; R169-F175 HydrophobicContact CB-CB 4.27Å; R169-F175 HydrophobicContact CB-CD1 4.38Å; R169-F175 VanDerWaalsContact CZ-CG 3.45Å; R169-F175 PolarHBondContact O-N 2.83Å
170F92.6Very high92Very high122 Ų12269.3 Ų69.354%0.53533%0.334SS..Hα-helixtrans-62.1-49.4173.1179.3-102.3000111.1W166 I167 W168 G174 F175 F176W166-F170 WeakPolarHBondContact O-CB 3.38Å; W166-F170 PolarHBondContact O-N 3.44Å; I167-F170 PolarHBondContact O-N 2.7Å; W168-F170 VanDerWaalsContact C-N 3.32Å; W168-F170 PolarHBondContact O-N 2.97Å; F170-G174 WeakPolarHBondContact O-CA 3.44Å; F170-G174 PolarHBondContact O-N 2.81Å; F170-F175 WeakPolarHBondContact CA-O 3.31Å; F170-F176 HydrophobicContact CD2-CB 4.16Å; F170-F176 AromaticContact CD2-CD2 3.87Å; F170-F176 HydrophobicContact CD2-CD2 3.87Å; F170-F176 HydrophobicContact CD2-CG 4.41Å; F170-F176 HydrophobicContact CE2-CD2 4.17Å
171Y93.3Very high92.1Very high178 Ų17869.6 Ų69.670%0.69833%0.331SS*.Hα-helixtrans-71-43.1-176.6-172.4-95.6000113.5I167 W168I167-Y171 PolarHBondContact O-N 3.37Å; I167-Y171 VanDerWaalsContact O-N 3.08Å; W168-Y171 PolarHBondContact O-N 3.39Å
172F94Very high92.1Very high124 Ų12472 Ų7254%0.54435%0.347SS..Hα-helixtrans-97.6-27.5-172.7-70.1-75.3000114.6W168W168-F172 AromaticContact CD1-CD2 3.91Å; W168-F172 AromaticContact CD2-CD2 3.51Å; W168-F172 HydrophobicContact CD2-CD2 3.51Å; W168-F172 AromaticContact CD2-CE2 3.65Å; W168-F172 HydrophobicContact CD2-CE2 3.65Å; W168-F172 AromaticContact CE2-CD2 3.43Å; W168-F172 VanDerWaalsContact CE2-CD2 3.43Å; W168-F172 AromaticContact CE2-CE2 3.71Å; W168-F172 AromaticContact CE3-CD2 3.96Å; W168-F172 HydrophobicContact CE3-CD2 3.96Å; W168-F172 AromaticContact CE3-CE2 3.57Å; W168-F172 HydrophobicContact CE3-CE2 3.57Å; W168-F172 AromaticContact CG-CD2 3.86Å; W168-F172 HydrophobicContact CG-CD2 3.86Å; W168-F172 HydrophobicContact CG-CE2 4.39Å; W168-F172 HydrophobicContact CH2-CD2 4.29Å; W168-F172 AromaticContact CH2-CE2 3.73Å; W168-F172 HydrophobicContact CH2-CE2 3.73Å; W168-F172 HydrophobicContact CH2-CZ 4.12Å; W168-F172 AromaticContact CZ2-CD2 3.85Å; W168-F172 HydrophobicContact CZ2-CD2 3.85Å; W168-F172 AromaticContact CZ2-CE2 3.77Å; W168-F172 HydrophobicContact CZ2-CE2 3.77Å; W168-F172 HydrophobicContact CZ2-CG 4.45Å; W168-F172 HydrophobicContact CZ2-CZ 4.3Å; W168-F172 HydrophobicContact CZ3-CD2 4.33Å; W168-F172 AromaticContact CZ3-CE2 3.63Å; W168-F172 HydrophobicContact CZ3-CE2 3.63Å; W168-F172 HydrophobicContact CZ3-CZ 4.28Å; W168-F172 AromaticContact NE1-CD2 3.65Å; W168-F172 WeakPolarHBondContact O-CB 3.35Å; W168-F172 WeakPolarHBondContact O-CD2 3.46Å; W168-F172 PolarHBondContact O-N 3.11Å
173E92Very high92.2Very high95 Ų9570.5 Ų70.544%0.44434%0.342SS..Hα-helixtrans-112.8-7.7-175.9-53.5172.6-164.600112.4R169 F175R169-E173 IonicContact CZ-OE2 2.72Å; R169-E173 IonicContact NE-OE1 2.94Å; R169-E173 IonicContact NE-OE2 3.43Å; R169-E173 PolarHBondContact NE-OE2 3.08Å; R169-E173 IonicContact NH2-OE2 3.13Å; R169-E173 PolarHBondContact NH2-OE2 3.17Å; R169-E173 CarbonylContact O-C 3.41Å; R169-E173 VanDerWaalsContact O-CA 3.28Å; R169-E173 WeakPolarHBondContact O-CA 3.47Å; R169-E173 VanDerWaalsContact O-CB 3.24Å; R169-E173 WeakPolarHBondContact O-CB 3.33Å; R169-E173 PolarHBondContact O-N 2.94Å; E173-F175 HydrophobicContact CB-CB 4.3Å; E173-F175 PolarHBondContact O-N 3.39Å
174G90Very high92.2Very high62 Ų6268.6 Ų68.664%0.63933%0.332SS*.  trans63.813.5-172.600000113.7R169 F170R169-G174 PolarHBondContact O-N 2.94Å; R169-G174 VanDerWaalsContact O-N 3.1Å; F170-G174 WeakPolarHBondContact O-CA 3.44Å; F170-G174 PolarHBondContact O-N 2.81Å
175F88.8Confident92.2Very high75 Ų7567.8 Ų67.833%0.32933%0.331SS..  trans-83.2129-176175.5-86.4000110.9R169 F170 E173 D177R169-F175 HydrophobicContact CB-CB 4.27Å; R169-F175 HydrophobicContact CB-CD1 4.38Å; R169-F175 VanDerWaalsContact CZ-CG 3.45Å; R169-F175 PolarHBondContact O-N 2.83Å; F170-F175 WeakPolarHBondContact CA-O 3.31Å; E173-F175 HydrophobicContact CB-CB 4.3Å; E173-F175 PolarHBondContact O-N 3.39Å; F175-D177 HydrophobicContact CE1-CB 3.77Å; F175-D177 HydrophobicContact CZ-CB 3.78Å
176F87.8Confident92.2Very high124 Ų12470.6 Ų70.654%0.54435%0.348SS..  trans-139.8119.3178.2-173-103.2000110.9F170 M178 I181F170-F176 HydrophobicContact CD2-CB 4.16Å; F170-F176 AromaticContact CD2-CD2 3.87Å; F170-F176 HydrophobicContact CD2-CD2 3.87Å; F170-F176 HydrophobicContact CD2-CG 4.41Å; F170-F176 HydrophobicContact CE2-CD2 4.17Å; F176-M178 HydrophobicContact CE1-CB 3.79Å; F176-M178 HydrophobicContact CE1-CG 4.19Å; F176-M178 HydrophobicContact CZ-CB 4.34Å; F176-M178 HydrophobicContact CZ-CG 4.42Å; F176-I181 HydrophobicContact CD2-CD1 3.55Å; F176-I181 HydrophobicContact CE2-CD1 3.48Å; F176-I181 VanDerWaalsContact CE2-CD1 3.48Å; F176-I181 HydrophobicContact CG-CD1 4.37Å; F176-I181 HydrophobicContact CZ-CD1 4.26Å
177D91.6Very high92.2Very high17 Ų1769.5 Ų69.59%0.09134%0.344CS..  trans-122.699.8175.2-180-12.6000108.7H111 W120 F175 I179 A180 I181H111-D177 IonicContact CE1-OD1 3.73Å; H111-D177 PolarHBondContact CE1-OD1 3.14Å; H111-D177 IonicContact NE2-OD1 2.69Å; H111-D177 PolarHBondContact NE2-OD1 2.86Å; H111-D177 IonicContact NE2-OD2 2.65Å; W120-D177 WeakPolarHBondContact CH2-OD2 3.5Å; F175-D177 HydrophobicContact CE1-CB 3.77Å; F175-D177 HydrophobicContact CZ-CB 3.78Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 3.23Å; D177-I179 PolarHBondContact OD1-N 3.42Å; D177-A180 HydrophobicContact CB-CB 4.11Å; D177-A180 PolarHBondContact O-N 3.06Å; D177-A180 PolarHBondContact OD1-N 3.39Å; D177-A180 WeakPolarHBondContact OD2-CB 3.36Å; D177-I181 WeakPolarHBondContact O-CB 3.43Å; D177-I181 WeakPolarHBondContact O-CD1 3.38Å; D177-I181 WeakPolarHBondContact O-CG1 3.29Å; D177-I181 PolarHBondContact O-N 3.22Å
178M92.2Very high92.1Very high125 Ų12564.8 Ų64.862%0.61632%0.32SS*.Hα-helixtrans-63.8-37.1-173.3-166.8171.6-178.300112.2F176 V182F176-M178 HydrophobicContact CE1-CB 3.79Å; F176-M178 HydrophobicContact CE1-CG 4.19Å; F176-M178 HydrophobicContact CZ-CB 4.34Å; F176-M178 HydrophobicContact CZ-CG 4.42Å; M178-V182 HydrophobicContact CG-CG2 4.18Å; M178-V182 WeakPolarHBondContact O-CB 3.3Å; M178-V182 VanDerWaalsContact O-CG2 3.26Å; M178-V182 WeakPolarHBondContact O-CG2 3.47Å; M178-V182 PolarHBondContact O-N 3.03Å
179I92.6Very high92Very high14 Ų1464.9 Ų64.97%0.07233%0.328CS..Hα-helixtrans-63.5-52.1179.6-67.7-177.1000109.4W120 T121 I124 Y125 D177 I181 A183W120-I179 HydrophobicContact CZ3-CG2 4.47Å; T121-I179 HydrophobicContact CG2-CD1 4.28Å; T121-I179 HydrophobicContact CG2-CG2 4.21Å; I124-I179 HydrophobicContact CG2-CG2 4.08Å; Y125-I179 HydrophobicContact CD1-CG2 4.5Å; Y125-I179 HydrophobicContact CE1-CG2 3.67Å; D177-I179 VanDerWaalsContact C-N 3.31Å; D177-I179 PolarHBondContact O-N 3.23Å; D177-I179 PolarHBondContact OD1-N 3.42Å; I179-I181 PolarHBondContact O-N 2.97Å; I179-A183 VanDerWaalsContact O-CB 3.26Å; I179-A183 WeakPolarHBondContact O-CB 3.29Å; I179-A183 PolarHBondContact O-N 3.44Å
180A91.4Very high91.8Very high7 Ų765 Ų656%0.05833%0.332CS..Hα-helixtrans-62.9-42.4179.900000112.3W166 D177 G184W166-A180 WeakPolarHBondContact CH2-O 3.23Å; W166-A180 HydrophobicContact CZ2-CB 4.06Å; D177-A180 HydrophobicContact CB-CB 4.11Å; D177-A180 PolarHBondContact O-N 3.06Å; D177-A180 PolarHBondContact OD1-N 3.39Å; D177-A180 WeakPolarHBondContact OD2-CB 3.36Å; A180-G184 PolarHBondContact O-N 3.25Å
181I93Very high91.5Very high36 Ų3659.2 Ų59.219%0.18531%0.306CS..Hα-helixtrans-65.5-51.6-179-69.2165.6000110.8W166 F176 D177 I179 G184 V185W166-I181 HydrophobicContact CB-CD1 4.39Å; W166-I181 HydrophobicContact CB-CG1 4.04Å; W166-I181 HydrophobicContact CD2-CG1 3.93Å; W166-I181 HydrophobicContact CE3-CB 4.39Å; W166-I181 HydrophobicContact CE3-CG1 3.96Å; W166-I181 HydrophobicContact CG-CG1 3.96Å; F176-I181 HydrophobicContact CD2-CD1 3.55Å; F176-I181 HydrophobicContact CE2-CD1 3.48Å; F176-I181 VanDerWaalsContact CE2-CD1 3.48Å; F176-I181 HydrophobicContact CG-CD1 4.37Å; F176-I181 HydrophobicContact CZ-CD1 4.26Å; D177-I181 WeakPolarHBondContact O-CB 3.43Å; D177-I181 WeakPolarHBondContact O-CD1 3.38Å; D177-I181 WeakPolarHBondContact O-CG1 3.29Å; D177-I181 PolarHBondContact O-N 3.22Å; I179-I181 PolarHBondContact O-N 2.97Å; I181-G184 PolarHBondContact O-N 3.46Å; I181-V185 WeakPolarHBondContact O-CG2 3.27Å; I181-V185 PolarHBondContact O-N 3.39Å
182V93.9Very high91.2Very high80 Ų8053.9 Ų53.949%0.48529%0.294SS..Hα-helixtrans-63.2-46.9-177.8172.50000110.7M178 G184 V185 V186M178-V182 HydrophobicContact CG-CG2 4.18Å; M178-V182 WeakPolarHBondContact O-CB 3.3Å; M178-V182 VanDerWaalsContact O-CG2 3.26Å; M178-V182 WeakPolarHBondContact O-CG2 3.47Å; M178-V182 PolarHBondContact O-N 3.03Å; V182-G184 VanDerWaalsContact C-N 3.28Å; V182-G184 PolarHBondContact O-N 3.49Å; V182-V185 PolarHBondContact O-N 3.34Å; V182-V186 WeakPolarHBondContact O-CG2 3.32Å; V182-V186 PolarHBondContact O-N 2.9Å
183A93.4Very high90.4Very high6 Ų652.7 Ų52.75%0.0529%0.293CS..Hα-helixtrans-61.1-39.3176.500000111.8I124 Y125 S128 I179 V186 Q187I124-A183 HydrophobicContact CG2-CB 3.53Å; Y125-A183 HydrophobicContact CD1-CB 4.16Å; S128-A183 VanDerWaalsContact CB-O 3.27Å; S128-A183 WeakPolarHBondContact CB-O 3.34Å; I179-A183 VanDerWaalsContact O-CB 3.26Å; I179-A183 WeakPolarHBondContact O-CB 3.29Å; I179-A183 PolarHBondContact O-N 3.44Å; A183-V186 PolarHBondContact O-N 3.5Å; A183-Q187 WeakPolarHBondContact O-CB 3.3Å; A183-Q187 PolarHBondContact O-N 2.95Å
184G92.1Very high89.8Confident0 Ų048.7 Ų48.70%028%0.275CS..Hα-helixtrans-68.7-33.3176.600000114.1A180 I181 V182 Q187 T188A180-G184 PolarHBondContact O-N 3.25Å; I181-G184 PolarHBondContact O-N 3.46Å; V182-G184 VanDerWaalsContact C-N 3.28Å; V182-G184 PolarHBondContact O-N 3.49Å; G184-Q187 PolarHBondContact O-N 3.17Å; G184-T188 PolarHBondContact O-N 3.39Å; G184-T188 PolarHBondContact O-OG1 2.88Å; G184-T188 VanDerWaalsContact O-OG1 3.1Å
185V93.6Very high89.5Confident60 Ų6047.7 Ų47.736%0.36425%0.253SS..Hα-helixtrans-65.4-48.9171.8169.20000110.3L163 I181 V182 Q187 T188 I189L163-V185 HydrophobicContact CD2-CG2 3.65Å; I181-V185 WeakPolarHBondContact O-CG2 3.27Å; I181-V185 PolarHBondContact O-N 3.39Å; V182-V185 PolarHBondContact O-N 3.34Å; V185-Q187 VanDerWaalsContact C-N 3.25Å; V185-Q187 PolarHBondContact O-N 3.21Å; V185-T188 PolarHBondContact O-N 2.86Å; V185-I189 HydrophobicContact CG1-CD1 3.75Å; V185-I189 HydrophobicContact CG1-CG1 4.4Å; V185-I189 WeakPolarHBondContact O-CG1 3.06Å; V185-I189 PolarHBondContact O-N 2.78Å
186V93.8Very high89.1Confident61 Ų6151.5 Ų51.537%0.3727%0.266SS..Hα-helixtrans-53.6-47.5174.9169.80000110.3V182 A183 T188 I189 L190V182-V186 WeakPolarHBondContact O-CG2 3.32Å; V182-V186 PolarHBondContact O-N 2.9Å; A183-V186 PolarHBondContact O-N 3.5Å; V186-T188 PolarHBondContact O-N 2.54Å; V186-I189 PolarHBondContact O-N 2.9Å; V186-L190 HydrophobicContact CG1-CD1 4.43Å; V186-L190 WeakPolarHBondContact O-CG 3.33Å; V186-L190 PolarHBondContact O-N 2.98Å; V186-L190 VanDerWaalsContact O-N 3.15Å
187Q92.4Very high88.5Confident1 Ų146 Ų461%0.00524%0.243CC..Hα-helixtrans-60.4-48.7179.3-168.1164.86.800112.4E127 Y158 R159 A183 G184 V185 I189 L190 Y191E127-Q187 PolarHBondContact O-NE2 3.25Å; E127-Q187 VanDerWaalsContact O-NE2 3.12Å; Y158-Q187 PolarHBondContact OH-NE2 3.1Å; R159-Q187 HydrophobicContact CG-CB 4.02Å; R159-Q187 HydrophobicContact CG-CG 4.03Å; A183-Q187 WeakPolarHBondContact O-CB 3.3Å; A183-Q187 PolarHBondContact O-N 2.95Å; G184-Q187 PolarHBondContact O-N 3.17Å; V185-Q187 VanDerWaalsContact C-N 3.25Å; V185-Q187 PolarHBondContact O-N 3.21Å; Q187-I189 VanDerWaalsContact C-N 3.32Å; Q187-I189 PolarHBondContact O-N 3.19Å; Q187-L190 PolarHBondContact O-N 2.91Å; Q187-Y191 HydrophobicContact CG-CD2 4.26Å; Q187-Y191 HydrophobicContact CG-CE2 3.84Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.35Å; Q187-Y191 PolarHBondContact O-N 2.94Å
188T90.6Very high87.9Confident21 Ų2145.8 Ų45.813%0.12924%0.24CC..Hα-helixtrans-60.9-40.9178.6-63.80000112R159 L163 G184 V185 V186 L190 Y191 C192R159-T188 VanDerWaalsContact CG-OG1 3.31Å; R159-T188 WeakPolarHBondContact CG-OG1 3.34Å; L163-T188 HydrophobicContact CD1-CG2 3.81Å; L163-T188 WeakPolarHBondContact CD1-OG1 3.49Å; G184-T188 PolarHBondContact O-N 3.39Å; G184-T188 PolarHBondContact O-OG1 2.88Å; G184-T188 VanDerWaalsContact O-OG1 3.1Å; V185-T188 PolarHBondContact O-N 2.86Å; V186-T188 PolarHBondContact O-N 2.54Å; T188-L190 VanDerWaalsContact C-N 3.28Å; T188-L190 PolarHBondContact O-N 3.29Å; T188-Y191 WeakPolarHBondContact O-CA 3.18Å; T188-Y191 PolarHBondContact O-N 3.18Å; T188-C192 PolarHBondContact O-N 3.44Å; T188-C192 VanDerWaalsContact O-N 3.15Å; T188-C192 PolarHBondContact O-SG 3.4Å; T188-C192 VanDerWaalsContact O-SG 3.38Å
189I91.3Very high87.3Confident107 Ų10743.5 Ų43.555%0.54923%0.233SC..Hα-helixtrans-59.2-41.6177.8-70.7168.8000110.9V185 V186 Q187 Y191 C192V185-I189 HydrophobicContact CG1-CD1 3.75Å; V185-I189 HydrophobicContact CG1-CG1 4.4Å; V185-I189 WeakPolarHBondContact O-CG1 3.06Å; V185-I189 PolarHBondContact O-N 2.78Å; V186-I189 PolarHBondContact O-N 2.9Å; Q187-I189 VanDerWaalsContact C-N 3.32Å; Q187-I189 PolarHBondContact O-N 3.19Å; I189-Y191 PolarHBondContact O-N 3.44Å; I189-C192 VanDerWaalsContact O-CB 3.32Å; I189-C192 WeakPolarHBondContact O-CB 3.39Å; I189-C192 PolarHBondContact O-N 2.74Å
190L88.8Confident86.7Confident51 Ų5144.9 Ų44.927%0.26724%0.243SC..Hα-helixtrans-63.4-25.1176.8-68.5175000113.2S128 V129 L132 V186 Q187 T188S128-L190 WeakPolarHBondContact O-CD1 3.4Å; V129-L190 HydrophobicContact CG1-CD1 4.43Å; L132-L190 HydrophobicContact CD2-CD1 3.94Å; L132-L190 HydrophobicContact CD2-CD2 3.81Å; L132-L190 HydrophobicContact CD2-CG 4.43Å; L132-L190 HydrophobicContact CG-CD1 4.21Å; V186-L190 HydrophobicContact CG1-CD1 4.43Å; V186-L190 WeakPolarHBondContact O-CG 3.33Å; V186-L190 PolarHBondContact O-N 2.98Å; V186-L190 VanDerWaalsContact O-N 3.15Å; Q187-L190 PolarHBondContact O-N 2.91Å; T188-L190 VanDerWaalsContact C-N 3.28Å; T188-L190 PolarHBondContact O-N 3.29Å
191Y86.1Confident85.9Confident0 Ų046.9 Ų46.90%025%0.25CC..Hα-helixtrans-86.7-12.7172.8-73-78.3000114I131 L152 L155 Q187 T188 I189 D193 F194 F195I131-Y191 HydrophobicContact CB-CE1 4.49Å; I131-Y191 WeakPolarHBondContact CB-OH 3.46Å; I131-Y191 HydrophobicContact CD1-CE1 4.49Å; I131-Y191 HydrophobicContact CG1-CE1 3.85Å; I131-Y191 WeakPolarHBondContact CG1-OH 3.34Å; I131-Y191 HydrophobicContact CG2-CE1 4.42Å; I131-Y191 HydrophobicContact CG2-CE2 4.17Å; L152-Y191 HydrophobicContact CD2-CE1 4.5Å; L155-Y191 HydrophobicContact CB-CE1 4.49Å; L155-Y191 HydrophobicContact CD2-CE1 4.37Å; L155-Y191 WeakPolarHBondContact CD2-OH 3.24Å; L155-Y191 WeakPolarHBondContact CG-OH 3.36Å; Q187-Y191 HydrophobicContact CG-CD2 4.26Å; Q187-Y191 HydrophobicContact CG-CE2 3.84Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.35Å; Q187-Y191 PolarHBondContact O-N 2.94Å; T188-Y191 WeakPolarHBondContact O-CA 3.18Å; T188-Y191 PolarHBondContact O-N 3.18Å; I189-Y191 PolarHBondContact O-N 3.44Å; Y191-D193 PolarHBondContact O-N 2.9Å; Y191-F194 WeakPolarHBondContact O-CB 3.28Å; Y191-F194 PolarHBondContact O-N 3.11Å; Y191-F195 VanDerWaalsContact O-CD2 3.23Å; Y191-F195 WeakPolarHBondContact O-CD2 3.47Å; Y191-F195 WeakPolarHBondContact O-CG 3.5Å; Y191-F195 PolarHBondContact O-N 2.65Å
192C85.6Confident85.3Confident65 Ų6546 Ų4644%0.43925%0.247SC..Hα-helixtrans-59.9-46.4-173.8-76.10000113.1T188 I189 F194 F195 Y196T188-C192 PolarHBondContact O-N 3.44Å; T188-C192 VanDerWaalsContact O-N 3.15Å; T188-C192 PolarHBondContact O-SG 3.4Å; T188-C192 VanDerWaalsContact O-SG 3.38Å; I189-C192 VanDerWaalsContact O-CB 3.32Å; I189-C192 WeakPolarHBondContact O-CB 3.39Å; I189-C192 PolarHBondContact O-N 2.74Å; C192-F194 VanDerWaalsContact C-N 3.33Å; C192-F194 PolarHBondContact O-N 3.06Å; C192-F195 PolarHBondContact O-N 3.33Å; C192-Y196 PolarHBondContact O-N 3.33Å
193D78Confident84.4Confident99 Ų9947.6 Ų47.653%0.52925%0.252SS..Hα-helixtrans-64.1-41.9178.6-173.941.9000111.2Y191 F195 Y196 L197Y191-D193 PolarHBondContact O-N 2.9Å; D193-F195 PolarHBondContact O-N 3.25Å; D193-Y196 PolarHBondContact O-N 2.68Å; D193-L197 WeakPolarHBondContact O-CG 3.36Å; D193-L197 PolarHBondContact O-N 3.48Å
194F80Confident83.8Confident11 Ų1154.5 Ų54.55%0.04828%0.28CS..Hα-helixtrans-59.4-44.9173.8174.6-93.1000112.3L135 T149 L152 F153 Y191 C192 Y196 L197 Y198 L208L135-F194 HydrophobicContact CD2-CB 4.44Å; T149-F194 HydrophobicContact CG2-CE2 3.66Å; T149-F194 HydrophobicContact CG2-CZ 3.38Å; T149-F194 WeakPolarHBondContact O-CZ 3.37Å; L152-F194 HydrophobicContact CB-CD1 4.1Å; L152-F194 HydrophobicContact CB-CD2 4.36Å; L152-F194 HydrophobicContact CB-CE1 3.39Å; L152-F194 HydrophobicContact CB-CE2 3.68Å; L152-F194 HydrophobicContact CB-CZ 3.14Å; L152-F194 HydrophobicContact CD1-CD2 3.88Å; L152-F194 HydrophobicContact CD1-CE2 3.33Å; L152-F194 HydrophobicContact CD1-CZ 3.75Å; L152-F194 HydrophobicContact CG-CE2 4.14Å; L152-F194 HydrophobicContact CG-CZ 4.08Å; F153-F194 HydrophobicContact CB-CE1 4.48Å; Y191-F194 WeakPolarHBondContact O-CB 3.28Å; Y191-F194 PolarHBondContact O-N 3.11Å; C192-F194 VanDerWaalsContact C-N 3.33Å; C192-F194 PolarHBondContact O-N 3.06Å; F194-Y196 PolarHBondContact O-N 3.22Å; F194-L197 PolarHBondContact O-N 3.41Å; F194-Y198 WeakPolarHBondContact O-CB 3.32Å; F194-Y198 PolarHBondContact O-N 3.12Å; F194-L208 HydrophobicContact CE2-CD1 4.3Å
195F82.2Confident82.9Confident41 Ų4158 Ų5818%0.1832%0.317CS..Hα-helixtrans-62.6-42.7177.5-74.5-47.2000112.6F153 Y191 C192 D193 L197 Y198 V199F153-F195 HydrophobicContact CD2-CD1 4.04Å; F153-F195 AromaticContact CD2-CE1 3.88Å; F153-F195 HydrophobicContact CD2-CE1 3.88Å; F153-F195 HydrophobicContact CE2-CD1 4.47Å; F153-F195 HydrophobicContact CE2-CE1 4.27Å; Y191-F195 VanDerWaalsContact O-CD2 3.23Å; Y191-F195 WeakPolarHBondContact O-CD2 3.47Å; Y191-F195 WeakPolarHBondContact O-CG 3.5Å; Y191-F195 PolarHBondContact O-N 2.65Å; C192-F195 PolarHBondContact O-N 3.33Å; D193-F195 PolarHBondContact O-N 3.25Å; F195-L197 VanDerWaalsContact C-N 3.33Å; F195-L197 PolarHBondContact O-N 3.07Å; F195-Y198 PolarHBondContact O-N 2.95Å; F195-V199 WeakPolarHBondContact O-CG2 3.24Å; F195-V199 PolarHBondContact O-N 3.48Å
196Y82.1Confident81.8Confident155 Ų15561.9 Ų61.961%0.60833%0.329SS*.Hα-helixtrans-57.4-48.6176.3174.5-99.3000110.9C192 D193 F194 V199 T200C192-Y196 PolarHBondContact O-N 3.33Å; D193-Y196 PolarHBondContact O-N 2.68Å; F194-Y196 PolarHBondContact O-N 3.22Å; Y196-V199 PolarHBondContact O-N 3.03Å; Y196-T200 HydrophobicContact CD2-CG2 4.22Å; Y196-T200 HydrophobicContact CE1-CG2 4.47Å; Y196-T200 HydrophobicContact CE2-CG2 3.9Å; Y196-T200 WeakPolarHBondContact O-CB 3.13Å; Y196-T200 VanDerWaalsContact O-CG2 3.3Å; Y196-T200 WeakPolarHBondContact O-CG2 3.35Å; Y196-T200 PolarHBondContact O-N 3.32Å; Y196-T200 PolarHBondContact O-OG1 3.49Å
197L74.7Confident80.5Confident10 Ų1065.4 Ų65.45%0.05234%0.339CS..Hα-helixtrans-66.7-37.6178.3-66.7169.2000112.6D193 F194 F195 T200 K201 L208 L210D193-L197 WeakPolarHBondContact O-CG 3.36Å; D193-L197 PolarHBondContact O-N 3.48Å; F194-L197 PolarHBondContact O-N 3.41Å; F195-L197 VanDerWaalsContact C-N 3.33Å; F195-L197 PolarHBondContact O-N 3.07Å; L197-T200 PolarHBondContact O-OG1 3.24Å; L197-K201 HydrophobicContact CD2-CD 4.49Å; L197-K201 VanDerWaalsContact O-CB 3.29Å; L197-K201 WeakPolarHBondContact O-CB 3.35Å; L197-K201 PolarHBondContact O-N 2.94Å; L197-L208 HydrophobicContact CB-CD1 3.71Å; L197-L208 HydrophobicContact CB-CG 4.37Å; L197-L210 HydrophobicContact CD1-CD2 3.26Å; L197-L210 HydrophobicContact CD1-CG 4.21Å
198Y77.4Confident79.1Confident11 Ų1165.6 Ų65.64%0.04334%0.34CS..Hα-helixtrans-61.2-49.5176.9-179.3-110.1000112.2T149 H150 F153 F194 F195 V202 L203T149-Y198 HydrophobicContact CG2-CD2 3.26Å; T149-Y198 HydrophobicContact CG2-CE2 3.75Å; T149-Y198 HydrophobicContact CG2-CG 4.32Å; H150-Y198 PolarHBondContact CE1-OH 3.37Å; H150-Y198 AromaticContact ND1-CZ 3.9Å; H150-Y198 PolarHBondContact ND1-OH 3.31Å; F153-Y198 HydrophobicContact CB-CD1 4.3Å; F153-Y198 HydrophobicContact CB-CE1 3.94Å; F153-Y198 HydrophobicContact CB-CE2 4.33Å; F153-Y198 HydrophobicContact CD1-CE1 4.28Å; F153-Y198 AromaticContact CD2-CD1 3.47Å; F153-Y198 HydrophobicContact CD2-CD1 3.47Å; F153-Y198 VanDerWaalsContact CD2-CD1 3.47Å; F153-Y198 AromaticContact CD2-CE1 3.33Å; F153-Y198 HydrophobicContact CD2-CE1 3.33Å; F153-Y198 HydrophobicContact CD2-CG 4.41Å; F153-Y198 HydrophobicContact CE2-CD1 4.07Å; F153-Y198 AromaticContact CE2-CE1 3.86Å; F153-Y198 HydrophobicContact CE2-CE1 3.86Å; F153-Y198 HydrophobicContact CG-CD1 4.07Å; F153-Y198 AromaticContact CG-CE1 3.56Å; F153-Y198 HydrophobicContact CG-CE1 3.56Å; F153-Y198 AromaticContact CG-CZ 3.94Å; F194-Y198 WeakPolarHBondContact O-CB 3.32Å; F194-Y198 PolarHBondContact O-N 3.12Å; F195-Y198 PolarHBondContact O-N 2.95Å; Y198-V202 HydrophobicContact CD2-CB 3.62Å; Y198-V202 HydrophobicContact CD2-CG1 3.81Å; Y198-V202 HydrophobicContact CD2-CG2 4.06Å; Y198-V202 HydrophobicContact CE2-CB 3.97Å; Y198-V202 HydrophobicContact CE2-CG1 3.62Å; Y198-V202 HydrophobicContact CG-CB 4.47Å; Y198-V202 WeakPolarHBondContact O-CA 3.41Å; Y198-V202 WeakPolarHBondContact O-CB 3.35Å; Y198-V202 PolarHBondContact O-N 3.26Å; Y198-L203 HydrophobicContact CD1-CG 4.37Å; Y198-L203 HydrophobicContact CE1-CD1 4.46Å; Y198-L203 HydrophobicContact CE1-CD2 3.92Å; Y198-L203 HydrophobicContact CE1-CG 4.09Å; Y198-L203 PolarHBondContact O-N 3.07Å; Y198-L203 VanDerWaalsContact O-N 3.07Å
199V81.1Confident77.8Confident77 Ų7767 Ų6747%0.46735%0.351SS..Hα-helixtrans-69-41.6-178173.10000111.3F195 Y196 L203F195-V199 WeakPolarHBondContact O-CG2 3.24Å; F195-V199 PolarHBondContact O-N 3.48Å; Y196-V199 PolarHBondContact O-N 3.03Å; V199-L203 HydrophobicContact CB-CD1 4.44Å; V199-L203 HydrophobicContact CG1-CD1 4.43Å; V199-L203 HydrophobicContact CG2-CD1 4.24Å
200T78.6Confident76.2Confident44 Ų4464.2 Ų64.227%0.2734%0.337SS..Hα-helixtrans-78.6-31.1-175.156.40000113.4Y196 L197 K204Y196-T200 HydrophobicContact CD2-CG2 4.22Å; Y196-T200 HydrophobicContact CE1-CG2 4.47Å; Y196-T200 HydrophobicContact CE2-CG2 3.9Å; Y196-T200 WeakPolarHBondContact O-CB 3.13Å; Y196-T200 VanDerWaalsContact O-CG2 3.3Å; Y196-T200 WeakPolarHBondContact O-CG2 3.35Å; Y196-T200 PolarHBondContact O-N 3.32Å; Y196-T200 PolarHBondContact O-OG1 3.49Å; L197-T200 PolarHBondContact O-OG1 3.24Å; T200-K204 WeakPolarHBondContact O-CD 3.28Å
201K76.5Confident74.4Confident48 Ų4866.8 Ų66.821%0.20936%0.356CS..THydrogen-bonded Turntrans-108.1-60.4-177.4-59-169.8174.7-174.10112.7L197 K204 G205 K206 S209L197-K201 HydrophobicContact CD2-CD 4.49Å; L197-K201 VanDerWaalsContact O-CB 3.29Å; L197-K201 WeakPolarHBondContact O-CB 3.35Å; L197-K201 PolarHBondContact O-N 2.94Å; K201-K204 CarbonylContact O-C 3.54Å; K201-K204 PolarHBondContact O-N 3.41Å; K201-K204 VanDerWaalsContact O-N 3.13Å; K201-G205 PolarHBondContact O-N 3.1Å; K201-K206 CarbonylContact C-O 3.36Å; K201-K206 HydrophobicContact CB-CB 4.17Å; K201-K206 WeakPolarHBondContact O-CA 3.4Å; K201-K206 WeakPolarHBondContact O-CB 3.31Å; K201-K206 PolarHBondContact O-N 3Å; K201-S209 PolarHBondContact NZ-O 2.69Å; K201-S209 PolarHBondContact NZ-OG 2.83Å
202V78.8Confident72.6Confident19 Ų1975.2 Ų75.212%0.11543%0.427CS..G310 helixtrans-69.9-43.2-167.3178.90000112.7T146 T149 Y198 K204 G205 K206 L208T146-V202 HydrophobicContact CG2-CG1 4.17Å; T149-V202 HydrophobicContact CG2-CB 4.44Å; T149-V202 HydrophobicContact CG2-CG1 4.38Å; T149-V202 HydrophobicContact CG2-CG2 3.8Å; Y198-V202 HydrophobicContact CD2-CB 3.62Å; Y198-V202 HydrophobicContact CD2-CG1 3.81Å; Y198-V202 HydrophobicContact CD2-CG2 4.06Å; Y198-V202 HydrophobicContact CE2-CB 3.97Å; Y198-V202 HydrophobicContact CE2-CG1 3.62Å; Y198-V202 HydrophobicContact CG-CB 4.47Å; Y198-V202 WeakPolarHBondContact O-CA 3.41Å; Y198-V202 WeakPolarHBondContact O-CB 3.35Å; Y198-V202 PolarHBondContact O-N 3.26Å; V202-K204 PolarHBondContact O-N 3.2Å; V202-K204 VanDerWaalsContact O-N 3.16Å; V202-G205 PolarHBondContact O-N 3.2Å; V202-K206 WeakPolarHBondContact CA-O 3.43Å; V202-L208 HydrophobicContact CG2-CB 3.86Å; V202-L208 HydrophobicContact CG2-CD1 3.96Å
203L76.1Confident71.9Confident113 Ų11375.8 Ų75.859%0.59243%0.426SS*.G310 helixtrans-63.5-21.1175.2-67.5-176000113.2Y198 V199 G205Y198-L203 HydrophobicContact CD1-CG 4.37Å; Y198-L203 HydrophobicContact CE1-CD1 4.46Å; Y198-L203 HydrophobicContact CE1-CD2 3.92Å; Y198-L203 HydrophobicContact CE1-CG 4.09Å; Y198-L203 PolarHBondContact O-N 3.07Å; Y198-L203 VanDerWaalsContact O-N 3.07Å; V199-L203 HydrophobicContact CB-CD1 4.44Å; V199-L203 HydrophobicContact CG1-CD1 4.43Å; V199-L203 HydrophobicContact CG2-CD1 4.24Å; L203-G205 VanDerWaalsContact C-N 3.32Å
204K79.9Confident71.6Confident150 Ų15074.5 Ų74.565%0.65242%0.42SS*.G310 helixtrans-92.811.8175.2-57.9-169.8-175.2177.90113T200 K201 V202 K206T200-K204 WeakPolarHBondContact O-CD 3.28Å; K201-K204 CarbonylContact O-C 3.54Å; K201-K204 PolarHBondContact O-N 3.41Å; K201-K204 VanDerWaalsContact O-N 3.13Å; V202-K204 PolarHBondContact O-N 3.2Å; V202-K204 VanDerWaalsContact O-N 3.16Å; K204-K206 PolarHBondContact O-N 3.16Å
205G73.6Confident71.1Confident75 Ų7578.1 Ų78.177%0.77344%0.441SS*.THydrogen-bonded Turntrans71.811.7-178.800000114.6K201 V202 L203K201-G205 PolarHBondContact O-N 3.1Å; V202-G205 PolarHBondContact O-N 3.2Å; L203-G205 VanDerWaalsContact C-N 3.32Å
206K71.2Confident70.5Confident140 Ų14080.2 Ų80.261%0.60946%0.457SS*.  trans-91144.6176.3-58.4-175.5178.8-174.20109.9K201 V202 K204K201-K206 CarbonylContact C-O 3.36Å; K201-K206 HydrophobicContact CB-CB 4.17Å; K201-K206 WeakPolarHBondContact O-CA 3.4Å; K201-K206 WeakPolarHBondContact O-CB 3.31Å; K201-K206 PolarHBondContact O-N 3Å; V202-K206 WeakPolarHBondContact CA-O 3.43Å; K204-K206 PolarHBondContact O-N 3.16Å
207K64.9Low69.7Low136 Ų13675.6 Ų75.659%0.59145%0.447SS*.  trans-61144.4173.8-71.3-171.5171.3-164.50111.1E143 S209E143-K207 WeakPolarHBondContact OE1-CD 3.22Å; E143-K207 IonicContact OE1-NZ 2.83Å; E143-K207 PolarHBondContact OE1-NZ 3.15Å; E143-K207 VanDerWaalsContact OE1-NZ 3.13Å; E143-K207 IonicContact OE2-NZ 2.66Å; E143-K207 PolarHBondContact OE2-NZ 2.87Å; K207-S209 PolarHBondContact O-N 3.31Å; K207-S209 VanDerWaalsContact O-N 3.13Å
208L64.1Low69.4Low4 Ų479.9 Ų79.92%0.02147%0.473CS..BIsolated β-bridgetrans-77.996171.5-168.7126000108.5I138 E143 A144 T149 F194 L197 V202I138-L208 HydrophobicContact CG2-CD2 4.01Å; E143-L208 WeakPolarHBondContact CA-O 3.5Å; A144-L208 HydrophobicContact CB-CD2 3.89Å; A144-L208 PolarHBondContact N-O 3.08Å; T149-L208 HydrophobicContact CG2-CD1 4.04Å; F194-L208 HydrophobicContact CE2-CD1 4.3Å; L197-L208 HydrophobicContact CB-CD1 3.71Å; L197-L208 HydrophobicContact CB-CG 4.37Å; V202-L208 HydrophobicContact CG2-CB 3.86Å; V202-L208 HydrophobicContact CG2-CD1 3.96Å
209S62.2Low68.8Low50 Ų5084.9 Ų84.935%0.3550%0.504SS..  trans-104.4136.7164.359.10000109.7G142 K201 K207G142-S209 WeakPolarHBondContact O-CA 3.49Å; K201-S209 PolarHBondContact NZ-O 2.69Å; K201-S209 PolarHBondContact NZ-OG 2.83Å; K207-S209 PolarHBondContact O-N 3.31Å; K207-S209 VanDerWaalsContact O-N 3.13Å
210L57.9Low67.9Low49 Ų4985.5 Ų85.526%0.25751%0.507SS..  trans-78.5140.5169.4-77.6157.5000108.8I138 L197 A212I138-L210 HydrophobicContact CG2-CD1 4.04Å; L197-L210 HydrophobicContact CD1-CD2 3.26Å; L197-L210 HydrophobicContact CD1-CG 4.21Å; L210-A212 PolarHBondContact O-N 2.92Å
211P51.8Low67Low105 Ų10588.9 Ų88.968%0.68253%0.527SS*.  trans-59.8134.9171.425.7-29.9000108.9
212A47.2Very low66.1Low178 Ų17892.6 Ų92.6100%1.47156%0.556SS**  trans-63.80179.900000112.2L210L210-A212 PolarHBondContact O-N 2.92Å

Retrieved 212 of 212 residues in 559.6 ms (Link to these results)

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